1 ASN 3 N 0.0102 -0.0015 0.0121 2 ASN 3 HN 0.0100 -0.0015 0.0125 3 ASN 3 CA 0.0106 -0.0022 0.0122 4 ASN 3 HA 0.0106 -0.0022 0.0120 5 ASN 3 CB 0.0105 -0.0026 0.0129 6 ASN 3 HB1 0.0109 -0.0031 0.0129 7 ASN 3 HB2 0.0105 -0.0027 0.0131 8 ASN 3 CG 0.0101 -0.0024 0.0135 9 ASN 3 OD1 0.0102 -0.0025 0.0135 10 ASN 3 ND2 0.0097 -0.0020 0.0138 11 ASN 3 HD21 0.0094 -0.0018 0.0142 12 ASN 3 HD22 0.0096 -0.0018 0.0137 13 ASN 3 C 0.0111 -0.0025 0.0116 14 ASN 3 O 0.0111 -0.0022 0.0112 15 ARG 4 N 0.0048 -0.0014 0.0047 16 ARG 4 HN 0.0048 -0.0007 0.0016 17 ARG 4 CA 0.0011 -0.0037 0.0054 18 ARG 4 HA 0.0016 -0.0041 0.0086 19 ARG 4 CB -0.0001 -0.0035 0.0010 20 ARG 4 HB1 -0.0026 -0.0052 0.0018 21 ARG 4 HB2 -0.0014 -0.0036 -0.0022 22 ARG 4 CG 0.0036 -0.0010 -0.0007 23 ARG 4 HG1 0.0022 -0.0011 -0.0038 24 ARG 4 HG2 0.0059 0.0007 -0.0020 25 ARG 4 CD 0.0058 -0.0004 0.0032 26 ARG 4 HD1 0.0073 -0.0002 0.0063 27 ARG 4 HD2 0.0036 -0.0021 0.0046 28 ARG 4 NE 0.0091 0.0020 0.0008 29 ARG 4 HE 0.0087 0.0025 -0.0028 30 ARG 4 CZ 0.0126 0.0037 0.0030 31 ARG 4 NH1 0.0136 0.0034 0.0077 32 ARG 4 HH11 0.0119 0.0020 0.0095 33 ARG 4 HH12 0.0164 0.0048 0.0091 34 ARG 4 NH2 0.0152 0.0058 0.0004 35 ARG 4 HH21 0.0179 0.0071 0.0021 36 ARG 4 HH22 0.0146 0.0062 -0.0031 37 ARG 4 C -0.0029 -0.0062 0.0060 38 ARG 4 O -0.0059 -0.0084 0.0077 39 ALA 5 N 0.0022 0.0001 0.0103 40 ALA 5 HN 0.0034 0.0012 0.0099 41 ALA 5 CA 0.0026 0.0007 0.0100 42 ALA 5 HA 0.0009 -0.0003 0.0104 43 ALA 5 CB 0.0024 0.0037 0.0090 44 ALA 5 HB1 0.0028 0.0042 0.0088 45 ALA 5 HB2 0.0003 0.0045 0.0088 46 ALA 5 HB3 0.0040 0.0048 0.0086 47 ALA 5 C 0.0054 -0.0004 0.0104 48 ALA 5 O 0.0074 -0.0005 0.0104 49 PHE 6 N 0.0052 0.0006 0.0079 50 PHE 6 HN 0.0044 0.0010 0.0080 51 PHE 6 CA 0.0062 -0.0000 0.0078 52 PHE 6 HA 0.0071 -0.0002 0.0076 53 PHE 6 CB 0.0059 -0.0012 0.0087 54 PHE 6 HB1 0.0065 -0.0016 0.0086 55 PHE 6 HB2 0.0049 -0.0011 0.0090 56 PHE 6 CG 0.0062 -0.0021 0.0091 57 PHE 6 CD1 0.0053 -0.0022 0.0095 58 PHE 6 HD1 0.0044 -0.0016 0.0095 59 PHE 6 CE1 0.0056 -0.0030 0.0098 60 PHE 6 HE1 0.0049 -0.0030 0.0101 61 PHE 6 CZ 0.0068 -0.0038 0.0098 62 PHE 6 HZ 0.0070 -0.0043 0.0100 63 PHE 6 CD2 0.0073 -0.0030 0.0091 64 PHE 6 HD2 0.0080 -0.0030 0.0088 65 PHE 6 CE2 0.0076 -0.0038 0.0094 66 PHE 6 HE2 0.0085 -0.0044 0.0094 67 PHE 6 C 0.0066 0.0007 0.0073 68 PHE 6 O 0.0058 0.0015 0.0071 69 LYS 7 N 0.0072 0.0002 0.0081 70 LYS 7 HN 0.0079 -0.0022 0.0078 71 LYS 7 CA 0.0080 0.0024 0.0055 72 LYS 7 HA 0.0072 0.0048 0.0062 73 LYS 7 CB 0.0092 0.0022 0.0031 74 LYS 7 HB1 0.0086 0.0031 0.0041 75 LYS 7 HB2 0.0098 0.0040 0.0012 76 LYS 7 CG 0.0105 -0.0012 0.0020 77 LYS 7 HG1 0.0109 -0.0023 0.0016 78 LYS 7 HG2 0.0099 -0.0027 0.0038 79 LYS 7 CD 0.0119 -0.0010 -0.0009 80 LYS 7 HD1 0.0115 -0.0003 -0.0005 81 LYS 7 HD2 0.0122 0.0010 -0.0024 82 LYS 7 CE 0.0133 -0.0041 -0.0026 83 LYS 7 HE1 0.0143 -0.0035 -0.0049 84 LYS 7 HE2 0.0136 -0.0049 -0.0027 85 LYS 7 NZ 0.0132 -0.0068 -0.0012 86 LYS 7 HZ1 0.0133 -0.0065 -0.0016 87 LYS 7 HZ2 0.0121 -0.0069 0.0012 88 LYS 7 HZ3 0.0140 -0.0089 -0.0020 89 LYS 7 C 0.0089 0.0019 0.0040 90 LYS 7 O 0.0092 -0.0006 0.0043 91 SER 8 N 0.0066 0.0025 0.0035 92 SER 8 HN 0.0063 0.0042 0.0032 93 SER 8 CA 0.0071 0.0025 0.0026 94 SER 8 HA 0.0077 0.0006 0.0024 95 SER 8 CB 0.0059 0.0038 0.0041 96 SER 8 HB1 0.0052 0.0028 0.0059 97 SER 8 HB2 0.0063 0.0037 0.0034 98 SER 8 OG 0.0051 0.0065 0.0043 99 SER 8 HG1 0.0047 0.0065 0.0050 100 SER 8 C 0.0081 0.0040 0.0002 101 SER 8 O 0.0081 0.0054 -0.0006 102 HIS 9 N 0.0069 0.0087 -0.0024 103 HIS 9 HN 0.0071 0.0086 -0.0003 104 HIS 9 CA 0.0059 0.0092 -0.0044 105 HIS 9 HA 0.0061 0.0091 -0.0034 106 HIS 9 CB 0.0029 0.0106 -0.0050 107 HIS 9 HB1 0.0022 0.0109 -0.0065 108 HIS 9 HB2 0.0025 0.0107 -0.0058 109 HIS 9 CD2 0.0002 0.0119 -0.0004 110 HIS 9 HD2 -0.0001 0.0120 -0.0007 111 HIS 9 CG 0.0015 0.0113 -0.0022 112 HIS 9 NE2 -0.0006 0.0123 0.0019 113 HIS 9 HE2 -0.0015 0.0127 0.0037 114 HIS 9 ND1 0.0015 0.0113 -0.0010 115 HIS 9 HD1 0.0022 0.0109 -0.0019 116 HIS 9 CE1 0.0002 0.0119 0.0015 117 HIS 9 HE1 -0.0001 0.0121 0.0031 118 HIS 9 C 0.0075 0.0084 -0.0072 119 HIS 9 O 0.0097 0.0073 -0.0072 120 HIS 10 N 0.0256 0.0172 -0.0223 121 HIS 10 HN 0.0075 0.0120 -0.0266 122 HIS 10 CA 0.0333 0.0105 -0.0458 123 HIS 10 HA 0.0473 0.0170 -0.0358 124 HIS 10 CB 0.0015 -0.0007 -0.0588 125 HIS 10 HB1 0.0079 -0.0053 -0.0756 126 HIS 10 HB2 -0.0113 -0.0079 -0.0717 127 HIS 10 CD2 -0.0540 -0.0005 -0.0259 128 HIS 10 HD2 -0.0678 -0.0061 -0.0337 129 HIS 10 CG -0.0228 0.0031 -0.0340 130 HIS 10 NE2 -0.0671 0.0040 -0.0056 131 HIS 10 HE2 -0.0900 0.0027 0.0040 132 HIS 10 ND1 -0.0160 0.0096 -0.0196 133 HIS 10 HD1 0.0051 0.0132 -0.0217 134 HIS 10 CE1 -0.0430 0.0100 -0.0027 135 HIS 10 HE1 -0.0463 0.0144 0.0115 136 HIS 10 C 0.0531 0.0045 -0.0744 137 HIS 10 O 0.0578 -0.0031 -0.0985 138 GLY 11 N 0.0133 0.0039 -0.0125 139 GLY 11 HN 0.0127 0.0035 -0.0107 140 GLY 11 CA 0.0116 0.0025 -0.0075 141 GLY 11 HA1 0.0125 0.0030 -0.0101 142 GLY 11 HA2 0.0112 -0.0031 -0.0055 143 GLY 11 C 0.0093 0.0075 -0.0013 144 GLY 11 O 0.0078 0.0064 0.0034 145 HIS 12 N 0.0070 0.0078 0.0009 146 HIS 12 HN 0.0074 0.0087 -0.0017 147 HIS 12 CA 0.0074 0.0103 0.0042 148 HIS 12 HA 0.0074 0.0107 0.0059 149 HIS 12 CB 0.0085 0.0141 0.0029 150 HIS 12 HB1 0.0088 0.0157 0.0055 151 HIS 12 HB2 0.0086 0.0136 0.0008 152 HIS 12 CD2 0.0104 0.0206 0.0017 153 HIS 12 HD2 0.0108 0.0225 0.0035 154 HIS 12 CG 0.0094 0.0168 0.0011 155 HIS 12 NE2 0.0109 0.0217 -0.0005 156 HIS 12 HE2 0.0116 0.0243 -0.0008 157 HIS 12 ND1 0.0093 0.0155 -0.0015 158 HIS 12 HD1 0.0086 0.0128 -0.0024 159 HIS 12 CE1 0.0102 0.0185 -0.0023 160 HIS 12 HE1 0.0103 0.0184 -0.0042 161 HIS 12 C 0.0067 0.0085 0.0070 162 HIS 12 O 0.0062 0.0063 0.0057 163 PHE 13 N 0.0033 0.0104 0.0108 164 PHE 13 HN 0.0035 0.0113 0.0113 165 PHE 13 CA 0.0022 0.0097 0.0113 166 PHE 13 HA 0.0019 0.0089 0.0109 167 PHE 13 CB 0.0015 0.0103 0.0125 168 PHE 13 HB1 0.0006 0.0097 0.0128 169 PHE 13 HB2 0.0017 0.0111 0.0129 170 PHE 13 CG 0.0016 0.0106 0.0126 171 PHE 13 CD1 0.0013 0.0098 0.0122 172 PHE 13 HD1 0.0010 0.0089 0.0118 173 PHE 13 CE1 0.0015 0.0101 0.0123 174 PHE 13 HE1 0.0013 0.0095 0.0120 175 PHE 13 CZ 0.0019 0.0113 0.0129 176 PHE 13 HZ 0.0020 0.0115 0.0130 177 PHE 13 CD2 0.0020 0.0118 0.0132 178 PHE 13 HD2 0.0022 0.0124 0.0135 179 PHE 13 CE2 0.0022 0.0121 0.0133 180 PHE 13 HE2 0.0025 0.0130 0.0137 181 PHE 13 C 0.0022 0.0095 0.0111 182 PHE 13 O 0.0028 0.0102 0.0111 183 LEU 14 N -0.0005 0.0063 0.0049 184 LEU 14 HN -0.0008 0.0067 0.0049 185 LEU 14 CA -0.0012 0.0051 0.0042 186 LEU 14 HA -0.0005 0.0045 0.0043 187 LEU 14 CB -0.0015 0.0040 0.0038 188 LEU 14 HB1 -0.0020 0.0030 0.0033 189 LEU 14 HB2 -0.0022 0.0045 0.0037 190 LEU 14 CG -0.0001 0.0034 0.0041 191 LEU 14 HG 0.0004 0.0043 0.0046 192 LEU 14 CD1 -0.0004 0.0022 0.0036 193 LEU 14 HD11 -0.0008 0.0012 0.0032 194 LEU 14 HD12 0.0006 0.0018 0.0039 195 LEU 14 HD13 -0.0012 0.0027 0.0035 196 LEU 14 CD2 0.0011 0.0027 0.0043 197 LEU 14 HD21 0.0015 0.0035 0.0047 198 LEU 14 HD22 0.0021 0.0022 0.0045 199 LEU 14 HD23 0.0007 0.0018 0.0039 200 LEU 14 C -0.0026 0.0057 0.0039 201 LEU 14 O -0.0035 0.0066 0.0039 202 SER 15 N -0.0069 0.0054 -0.0036 203 SER 15 HN -0.0052 0.0031 -0.0032 204 SER 15 CA -0.0084 0.0060 -0.0054 205 SER 15 HA -0.0105 0.0081 -0.0066 206 SER 15 CB -0.0075 0.0072 -0.0029 207 SER 15 HB1 -0.0084 0.0072 -0.0043 208 SER 15 HB2 -0.0053 0.0053 -0.0013 209 SER 15 OG -0.0082 0.0107 -0.0007 210 SER 15 HG1 -0.0081 0.0109 -0.0003 211 SER 15 C -0.0084 0.0029 -0.0082 212 SER 15 O -0.0065 -0.0002 -0.0081 213 ALA 16 N -0.0049 0.0012 -0.0135 214 ALA 16 HN -0.0051 0.0020 -0.0138 215 ALA 16 CA -0.0048 0.0004 -0.0147 216 ALA 16 HA -0.0046 -0.0003 -0.0144 217 ALA 16 CB -0.0050 0.0014 -0.0158 218 ALA 16 HB1 -0.0052 0.0019 -0.0153 219 ALA 16 HB2 -0.0052 0.0020 -0.0161 220 ALA 16 HB3 -0.0049 0.0008 -0.0167 221 ALA 16 C -0.0046 -0.0004 -0.0152 222 ALA 16 O -0.0047 0.0001 -0.0154 223 GLU 17 N -0.0011 -0.0077 -0.0233 224 GLU 17 HN -0.0025 -0.0073 -0.0199 225 GLU 17 CA -0.0034 -0.0104 -0.0270 226 GLU 17 HA -0.0012 -0.0103 -0.0304 227 GLU 17 CB -0.0074 -0.0131 -0.0277 228 GLU 17 HB1 -0.0097 -0.0150 -0.0295 229 GLU 17 HB2 -0.0092 -0.0128 -0.0241 230 GLU 17 CG -0.0065 -0.0136 -0.0308 231 GLU 17 HG1 -0.0044 -0.0118 -0.0292 232 GLU 17 HG2 -0.0048 -0.0139 -0.0345 233 GLU 17 CD -0.0108 -0.0163 -0.0312 234 GLU 17 OE1 -0.0110 -0.0164 -0.0310 235 GLU 17 OE2 -0.0142 -0.0183 -0.0310 236 GLU 17 C -0.0053 -0.0110 -0.0257 237 GLU 17 O -0.0076 -0.0111 -0.0218 238 GLY 18 N 0.0049 -0.0048 -0.0108 239 GLY 18 HN 0.0055 -0.0080 -0.0093 240 GLY 18 CA 0.0077 -0.0006 -0.0091 241 GLY 18 HA1 0.0075 0.0016 -0.0099 242 GLY 18 HA2 0.0103 -0.0019 -0.0063 243 GLY 18 C 0.0078 0.0025 -0.0099 244 GLY 18 O 0.0087 0.0012 -0.0086 245 GLU 19 N 0.0108 -0.0093 -0.0137 246 GLU 19 HN 0.0097 -0.0047 -0.0171 247 GLU 19 CA 0.0105 -0.0033 -0.0160 248 GLU 19 HA 0.0127 -0.0075 -0.0107 249 GLU 19 CB 0.0138 0.0108 -0.0143 250 GLU 19 HB1 0.0134 0.0152 -0.0165 251 GLU 19 HB2 0.0115 0.0152 -0.0200 252 GLU 19 CG 0.0208 0.0136 -0.0023 253 GLU 19 HG1 0.0216 0.0097 0.0006 254 GLU 19 HG2 0.0231 0.0097 0.0034 255 GLU 19 CD 0.0238 0.0277 -0.0010 256 GLU 19 OE1 0.0222 0.0345 -0.0062 257 GLU 19 OE2 0.0278 0.0316 0.0052 258 GLU 19 C 0.0039 -0.0044 -0.0281 259 GLU 19 O 0.0029 0.0017 -0.0319 260 ALA 20 N -0.0003 -0.0102 -0.0261 261 ALA 20 HN -0.0003 -0.0105 -0.0259 262 ALA 20 CA -0.0012 -0.0095 -0.0238 263 ALA 20 HA -0.0014 -0.0083 -0.0245 264 ALA 20 CB -0.0009 -0.0120 -0.0221 265 ALA 20 HB1 -0.0015 -0.0115 -0.0205 266 ALA 20 HB2 -0.0000 -0.0132 -0.0234 267 ALA 20 HB3 -0.0007 -0.0132 -0.0213 268 ALA 20 C -0.0023 -0.0077 -0.0221 269 ALA 20 O -0.0024 -0.0073 -0.0224 270 VAL 21 N -0.0010 -0.0069 -0.0158 271 VAL 21 HN -0.0008 -0.0077 -0.0155 272 VAL 21 CA -0.0015 -0.0049 -0.0138 273 VAL 21 HA -0.0017 -0.0042 -0.0143 274 VAL 21 CB -0.0021 -0.0025 -0.0139 275 VAL 21 HB -0.0019 -0.0032 -0.0132 276 VAL 21 CG1 -0.0026 -0.0003 -0.0120 277 VAL 21 HG11 -0.0025 -0.0010 -0.0098 278 VAL 21 HG12 -0.0028 0.0004 -0.0127 279 VAL 21 HG13 -0.0030 0.0014 -0.0121 280 VAL 21 CG2 -0.0023 -0.0015 -0.0168 281 VAL 21 HG21 -0.0027 0.0004 -0.0168 282 VAL 21 HG22 -0.0024 -0.0009 -0.0177 283 VAL 21 HG23 -0.0019 -0.0029 -0.0182 284 VAL 21 C -0.0012 -0.0062 -0.0111 285 VAL 21 O -0.0009 -0.0077 -0.0104 286 LYS 22 N -0.0020 -0.0039 -0.0095 287 LYS 22 HN -0.0027 0.0001 -0.0113 288 LYS 22 CA 0.0001 -0.0058 -0.0042 289 LYS 22 HA 0.0010 -0.0091 -0.0019 290 LYS 22 CB -0.0004 -0.0087 -0.0056 291 LYS 22 HB1 -0.0017 -0.0126 -0.0086 292 LYS 22 HB2 0.0011 -0.0107 -0.0016 293 LYS 22 CG -0.0015 -0.0041 -0.0082 294 LYS 22 HG1 -0.0001 -0.0018 -0.0048 295 LYS 22 HG2 -0.0024 -0.0004 -0.0106 296 LYS 22 CD -0.0033 -0.0069 -0.0127 297 LYS 22 HD1 -0.0040 -0.0029 -0.0146 298 LYS 22 HD2 -0.0047 -0.0092 -0.0161 299 LYS 22 CE -0.0023 -0.0114 -0.0102 300 LYS 22 HE1 -0.0018 -0.0158 -0.0088 301 LYS 22 HE2 -0.0008 -0.0093 -0.0065 302 LYS 22 NZ -0.0041 -0.0128 -0.0146 303 LYS 22 HZ1 -0.0035 -0.0152 -0.0131 304 LYS 22 HZ2 -0.0055 -0.0149 -0.0183 305 LYS 22 HZ3 -0.0047 -0.0085 -0.0163 306 LYS 22 C 0.0017 -0.0002 -0.0004 307 LYS 22 O 0.0009 0.0051 -0.0022 308 THR 23 N 0.0033 0.0041 0.0033 309 THR 23 HN 0.0053 0.0024 0.0031 310 THR 23 CA 0.0038 0.0064 0.0056 311 THR 23 HA 0.0017 0.0074 0.0052 312 THR 23 CB 0.0067 0.0052 0.0062 313 THR 23 HB 0.0090 0.0041 0.0067 314 THR 23 OG1 0.0061 0.0032 0.0042 315 THR 23 HG1 0.0081 0.0024 0.0047 316 THR 23 CG2 0.0072 0.0076 0.0086 317 THR 23 HG21 0.0091 0.0067 0.0089 318 THR 23 HG22 0.0080 0.0091 0.0103 319 THR 23 HG23 0.0049 0.0089 0.0082 320 THR 23 C 0.0046 0.0086 0.0078 321 THR 23 O 0.0063 0.0078 0.0081 322 HIS 24 N 0.0021 0.0129 0.0121 323 HIS 24 HN 0.0011 0.0125 0.0118 324 HIS 24 CA 0.0022 0.0158 0.0135 325 HIS 24 HA 0.0038 0.0160 0.0137 326 HIS 24 CB -0.0011 0.0167 0.0139 327 HIS 24 HB1 -0.0028 0.0165 0.0136 328 HIS 24 HB2 -0.0017 0.0154 0.0131 329 HIS 24 CD2 -0.0038 0.0215 0.0161 330 HIS 24 HD2 -0.0060 0.0213 0.0159 331 HIS 24 CG -0.0014 0.0197 0.0153 332 HIS 24 NE2 -0.0029 0.0239 0.0173 333 HIS 24 HE2 -0.0042 0.0256 0.0181 334 HIS 24 ND1 0.0010 0.0208 0.0160 335 HIS 24 HD1 0.0031 0.0199 0.0157 336 HIS 24 CE1 0.0000 0.0233 0.0172 337 HIS 24 HE1 0.0013 0.0248 0.0180 338 HIS 24 C 0.0033 0.0177 0.0145 339 HIS 24 O 0.0025 0.0174 0.0144 340 HIS 25 N 0.0069 0.0293 0.0129 341 HIS 25 HN 0.0075 0.0347 0.0141 342 HIS 25 CA 0.0042 0.0230 0.0072 343 HIS 25 HA 0.0023 0.0207 0.0032 344 HIS 25 CB 0.0019 0.0275 0.0023 345 HIS 25 HB1 0.0001 0.0326 -0.0017 346 HIS 25 HB2 0.0001 0.0225 -0.0016 347 HIS 25 CD2 0.0054 0.0295 0.0098 348 HIS 25 HD2 0.0049 0.0232 0.0088 349 HIS 25 CG 0.0043 0.0321 0.0074 350 HIS 25 NE2 0.0074 0.0366 0.0140 351 HIS 25 HE2 0.0087 0.0367 0.0168 352 HIS 25 ND1 0.0056 0.0408 0.0099 353 HIS 25 HD1 0.0051 0.0444 0.0090 354 HIS 25 CE1 0.0074 0.0432 0.0140 355 HIS 25 HE1 0.0088 0.0496 0.0169 356 HIS 25 C 0.0061 0.0148 0.0115 357 HIS 25 O 0.0044 0.0078 0.0077 358 GLY 26 N -0.0063 0.0094 0.0195 359 GLY 26 HN -0.0023 0.0145 0.0202 360 GLY 26 CA -0.0030 0.0014 0.0237 361 GLY 26 HA1 -0.0052 -0.0002 0.0229 362 GLY 26 HA2 0.0035 0.0030 0.0269 363 GLY 26 C -0.0053 -0.0068 0.0248 364 GLY 26 O -0.0072 -0.0063 0.0236 365 HIS 27 N 0.0007 -0.0206 0.0226 366 HIS 27 HN 0.0021 -0.0267 0.0274 367 HIS 27 CA 0.0004 -0.0269 0.0215 368 HIS 27 HA 0.0001 -0.0385 0.0203 369 HIS 27 CB -0.0031 -0.0220 0.0091 370 HIS 27 HB1 -0.0030 -0.0280 0.0093 371 HIS 27 HB2 -0.0030 -0.0103 0.0098 372 HIS 27 CD2 -0.0099 -0.0162 -0.0147 373 HIS 27 HD2 -0.0101 -0.0045 -0.0152 374 HIS 27 CG -0.0069 -0.0252 -0.0044 375 HIS 27 NE2 -0.0127 -0.0249 -0.0246 376 HIS 27 HE2 -0.0151 -0.0216 -0.0332 377 HIS 27 ND1 -0.0079 -0.0394 -0.0078 378 HIS 27 HD1 -0.0062 -0.0483 -0.0022 379 HIS 27 CE1 -0.0113 -0.0387 -0.0200 380 HIS 27 HE1 -0.0129 -0.0481 -0.0256 381 HIS 27 C 0.0044 -0.0244 0.0354 382 HIS 27 O 0.0059 -0.0125 0.0408 383 HIS 28 N -0.0066 -0.0250 -0.0222 384 HIS 28 HN -0.0001 -0.0315 -0.0279 385 HIS 28 CA -0.0022 -0.0262 -0.0187 386 HIS 28 HA 0.0077 -0.0345 -0.0234 387 HIS 28 CB -0.0131 -0.0236 -0.0282 388 HIS 28 HB1 -0.0133 -0.0291 -0.0410 389 HIS 28 HB2 -0.0084 -0.0251 -0.0251 390 HIS 28 CD2 -0.0415 -0.0101 -0.0381 391 HIS 28 HD2 -0.0426 -0.0150 -0.0507 392 HIS 28 CG -0.0290 -0.0128 -0.0264 393 HIS 28 NE2 -0.0541 0.0005 -0.0319 394 HIS 28 HE2 -0.0647 0.0045 -0.0378 395 HIS 28 ND1 -0.0340 -0.0036 -0.0127 396 HIS 28 HD1 -0.0277 -0.0028 -0.0019 397 HIS 28 CE1 -0.0490 0.0041 -0.0166 398 HIS 28 HE1 -0.0557 0.0122 -0.0077 399 HIS 28 C 0.0030 -0.0217 -0.0013 400 HIS 28 O 0.0123 -0.0260 0.0021 401 ASP 29 N -0.0048 -0.0185 0.0131 402 ASP 29 HN -0.0080 -0.0174 0.0126 403 ASP 29 CA -0.0002 -0.0141 0.0125 404 ASP 29 HA 0.0041 -0.0161 0.0133 405 ASP 29 CB -0.0010 -0.0088 0.0111 406 ASP 29 HB1 0.0025 -0.0054 0.0106 407 ASP 29 HB2 -0.0055 -0.0069 0.0103 408 ASP 29 CG -0.0006 -0.0108 0.0116 409 ASP 29 OD1 -0.0026 -0.0073 0.0107 410 ASP 29 OD2 0.0020 -0.0155 0.0130 411 ASP 29 C 0.0001 -0.0123 0.0121 412 ASP 29 O -0.0044 -0.0115 0.0115 413 HIS 30 N -0.0358 -0.0014 -0.0358 414 HIS 30 HN -0.0059 -0.0155 -0.0396 415 HIS 30 CA -0.0533 0.0266 -0.0575 416 HIS 30 HA -0.0858 0.0337 -0.0433 417 HIS 30 CB -0.0324 0.0208 -0.0651 418 HIS 30 HB1 -0.0475 0.0422 -0.0805 419 HIS 30 HB2 0.0006 0.0152 -0.0814 420 HIS 30 CD2 -0.0037 -0.0352 -0.0173 421 HIS 30 HD2 0.0291 -0.0448 -0.0288 422 HIS 30 CG -0.0345 -0.0066 -0.0304 423 HIS 30 NE2 -0.0228 -0.0512 0.0153 424 HIS 30 HE2 -0.0090 -0.0733 0.0324 425 HIS 30 ND1 -0.0720 -0.0042 -0.0071 426 HIS 30 HD1 -0.0997 0.0145 -0.0103 427 HIS 30 CE1 -0.0637 -0.0313 0.0200 428 HIS 30 HE1 -0.0868 -0.0378 0.0441 429 HIS 30 C -0.0481 0.0540 -0.0943 430 HIS 30 O -0.0172 0.0502 -0.1114 431 HIS 31 N -0.0188 0.0149 -0.0101 432 HIS 31 HN -0.0170 0.0199 -0.0102 433 HIS 31 CA -0.0175 0.0106 -0.0062 434 HIS 31 HA -0.0175 0.0062 -0.0039 435 HIS 31 CB -0.0129 0.0145 -0.0014 436 HIS 31 HB1 -0.0120 0.0116 0.0014 437 HIS 31 HB2 -0.0127 0.0194 -0.0036 438 HIS 31 CD2 -0.0079 0.0213 0.0024 439 HIS 31 HD2 -0.0089 0.0256 -0.0013 440 HIS 31 CG -0.0095 0.0159 0.0027 441 HIS 31 NE2 -0.0046 0.0203 0.0077 442 HIS 31 HE2 -0.0029 0.0232 0.0087 443 HIS 31 ND1 -0.0072 0.0118 0.0082 444 HIS 31 HD1 -0.0076 0.0075 0.0098 445 HIS 31 CE1 -0.0043 0.0145 0.0110 446 HIS 31 HE1 -0.0019 0.0125 0.0155 447 HIS 31 C -0.0204 0.0078 -0.0089 448 HIS 31 O -0.0226 0.0107 -0.0136 449 THR 32 N -0.0133 0.0063 -0.0062 450 THR 32 HN -0.0118 0.0062 -0.0063 451 THR 32 CA -0.0145 0.0040 -0.0059 452 THR 32 HA -0.0164 0.0044 -0.0059 453 THR 32 CB -0.0141 0.0020 -0.0056 454 THR 32 HB -0.0121 0.0016 -0.0057 455 THR 32 OG1 -0.0150 0.0029 -0.0057 456 THR 32 HG1 -0.0148 0.0047 -0.0060 457 THR 32 CG2 -0.0155 -0.0003 -0.0053 458 THR 32 HG21 -0.0153 -0.0016 -0.0051 459 THR 32 HG22 -0.0149 -0.0012 -0.0052 460 THR 32 HG23 -0.0176 0.0001 -0.0053 461 THR 32 C -0.0137 0.0030 -0.0058 462 THR 32 O -0.0115 0.0026 -0.0058 463 HIS 33 N -0.0119 -0.0019 -0.0033 464 HIS 33 HN -0.0136 -0.0016 -0.0034 465 HIS 33 CA -0.0106 -0.0028 -0.0028 466 HIS 33 HA -0.0087 -0.0028 -0.0028 467 HIS 33 CB -0.0112 -0.0017 -0.0034 468 HIS 33 HB1 -0.0103 -0.0025 -0.0030 469 HIS 33 HB2 -0.0132 -0.0017 -0.0034 470 HIS 33 CD2 -0.0092 0.0018 -0.0051 471 HIS 33 HD2 -0.0084 0.0014 -0.0049 472 HIS 33 CG -0.0104 0.0006 -0.0045 473 HIS 33 NE2 -0.0090 0.0039 -0.0061 474 HIS 33 HE2 -0.0083 0.0052 -0.0068 475 HIS 33 ND1 -0.0110 0.0019 -0.0052 476 HIS 33 HD1 -0.0119 0.0014 -0.0049 477 HIS 33 CE1 -0.0102 0.0038 -0.0061 478 HIS 33 HE1 -0.0104 0.0052 -0.0068 479 HIS 33 C -0.0114 -0.0052 -0.0017 480 HIS 33 O -0.0135 -0.0057 -0.0014 481 PHE 34 N -0.0091 -0.0055 -0.0016 482 PHE 34 HN -0.0083 -0.0055 -0.0022 483 PHE 34 CA -0.0093 -0.0068 -0.0015 484 PHE 34 HA -0.0099 -0.0064 -0.0010 485 PHE 34 CB -0.0080 -0.0073 -0.0026 486 PHE 34 HB1 -0.0082 -0.0084 -0.0026 487 PHE 34 HB2 -0.0073 -0.0076 -0.0032 488 PHE 34 CG -0.0075 -0.0059 -0.0029 489 PHE 34 CD1 -0.0080 -0.0055 -0.0024 490 PHE 34 HD1 -0.0089 -0.0062 -0.0018 491 PHE 34 CE1 -0.0074 -0.0043 -0.0027 492 PHE 34 HE1 -0.0079 -0.0040 -0.0023 493 PHE 34 CZ -0.0063 -0.0034 -0.0035 494 PHE 34 HZ -0.0058 -0.0025 -0.0038 495 PHE 34 CD2 -0.0063 -0.0050 -0.0037 496 PHE 34 HD2 -0.0058 -0.0053 -0.0041 497 PHE 34 CE2 -0.0057 -0.0038 -0.0040 498 PHE 34 HE2 -0.0048 -0.0031 -0.0046 499 PHE 34 C -0.0100 -0.0083 -0.0012 500 PHE 34 O -0.0096 -0.0089 -0.0015 501 HIS 35 N -0.0084 -0.0117 -0.0029 502 HIS 35 HN -0.0089 -0.0113 -0.0026 503 HIS 35 CA -0.0092 -0.0130 -0.0024 504 HIS 35 HA -0.0087 -0.0132 -0.0027 505 HIS 35 CB -0.0107 -0.0124 -0.0015 506 HIS 35 HB1 -0.0114 -0.0134 -0.0011 507 HIS 35 HB2 -0.0112 -0.0119 -0.0012 508 HIS 35 CD2 -0.0107 -0.0093 -0.0016 509 HIS 35 HD2 -0.0105 -0.0087 -0.0017 510 HIS 35 CG -0.0108 -0.0110 -0.0015 511 HIS 35 NE2 -0.0108 -0.0085 -0.0016 512 HIS 35 HE2 -0.0107 -0.0073 -0.0016 513 HIS 35 ND1 -0.0110 -0.0112 -0.0014 514 HIS 35 HD1 -0.0112 -0.0123 -0.0013 515 HIS 35 CE1 -0.0110 -0.0097 -0.0014 516 HIS 35 HE1 -0.0112 -0.0095 -0.0013 517 HIS 35 C -0.0092 -0.0145 -0.0024 518 HIS 35 O -0.0096 -0.0146 -0.0021 519 VAL 36 N -0.0047 -0.0032 0.0012 520 VAL 36 HN -0.0051 -0.0035 0.0013 521 VAL 36 CA -0.0048 -0.0022 0.0008 522 VAL 36 HA -0.0047 -0.0020 0.0008 523 VAL 36 CB -0.0058 -0.0017 0.0009 524 VAL 36 HB -0.0059 -0.0020 0.0010 525 VAL 36 CG1 -0.0059 -0.0006 0.0006 526 VAL 36 HG11 -0.0053 -0.0003 0.0004 527 VAL 36 HG12 -0.0057 -0.0004 0.0005 528 VAL 36 HG13 -0.0067 -0.0003 0.0006 529 VAL 36 CG2 -0.0066 -0.0022 0.0012 530 VAL 36 HG21 -0.0066 -0.0020 0.0011 531 VAL 36 HG22 -0.0066 -0.0030 0.0014 532 VAL 36 HG23 -0.0074 -0.0019 0.0012 533 VAL 36 C -0.0039 -0.0017 0.0006 534 VAL 36 O -0.0038 -0.0019 0.0006 535 GLU 37 N -0.0055 -0.0058 0.0013 536 GLU 37 HN -0.0061 -0.0046 0.0010 537 GLU 37 CA -0.0027 -0.0048 0.0017 538 GLU 37 HA -0.0022 -0.0063 0.0020 539 GLU 37 CB -0.0000 -0.0050 0.0023 540 GLU 37 HB1 -0.0004 -0.0033 0.0020 541 GLU 37 HB2 -0.0001 -0.0073 0.0025 542 GLU 37 CG 0.0032 -0.0044 0.0029 543 GLU 37 HG1 0.0035 -0.0060 0.0031 544 GLU 37 HG2 0.0036 -0.0020 0.0027 545 GLU 37 CD 0.0057 -0.0052 0.0034 546 GLU 37 OE1 0.0063 -0.0032 0.0033 547 GLU 37 OE2 0.0070 -0.0078 0.0040 548 GLU 37 C -0.0030 -0.0015 0.0013 549 GLU 37 O -0.0042 0.0005 0.0008 550 ASN 38 N -0.0039 0.0089 -0.0012 551 ASN 38 HN -0.0044 0.0145 -0.0061 552 ASN 38 CA -0.0036 0.0085 0.0004 553 ASN 38 HA -0.0021 0.0051 0.0082 554 ASN 38 CB -0.0020 0.0199 0.0007 555 ASN 38 HB1 0.0004 0.0235 0.0083 556 ASN 38 HB2 -0.0020 0.0194 0.0006 557 ASN 38 CG -0.0033 0.0272 -0.0084 558 ASN 38 OD1 -0.0058 0.0255 -0.0175 559 ASN 38 ND2 -0.0015 0.0360 -0.0061 560 ASN 38 HD21 -0.0024 0.0408 -0.0121 561 ASN 38 HD22 0.0006 0.0376 0.0013 562 ASN 38 C -0.0064 0.0010 -0.0068 563 ASN 38 O -0.0089 -0.0006 -0.0157 564 HIS 39 N -0.0041 0.0006 0.0023 565 HIS 39 HN -0.0054 0.0008 0.0018 566 HIS 39 CA -0.0025 0.0018 0.0016 567 HIS 39 HA -0.0016 0.0017 0.0018 568 HIS 39 CB -0.0014 0.0017 0.0019 569 HIS 39 HB1 -0.0005 0.0028 0.0012 570 HIS 39 HB2 -0.0024 0.0015 0.0018 571 HIS 39 CD2 -0.0004 -0.0009 0.0043 572 HIS 39 HD2 -0.0016 -0.0015 0.0045 573 HIS 39 CG -0.0001 0.0005 0.0032 574 HIS 39 NE2 0.0013 -0.0015 0.0051 575 HIS 39 HE2 0.0015 -0.0026 0.0061 576 HIS 39 ND1 0.0018 0.0009 0.0033 577 HIS 39 HD1 0.0024 0.0018 0.0026 578 HIS 39 CE1 0.0025 -0.0004 0.0045 579 HIS 39 HE1 0.0040 -0.0005 0.0049 580 HIS 39 C -0.0033 0.0033 0.0002 581 HIS 39 O -0.0027 0.0044 -0.0006 582 GLY 40 N -0.0066 0.0041 0.0015 583 GLY 40 HN -0.0057 0.0065 0.0002 584 GLY 40 CA -0.0051 0.0023 0.0046 585 GLY 40 HA1 -0.0068 -0.0003 0.0053 586 GLY 40 HA2 -0.0041 0.0036 0.0043 587 GLY 40 C -0.0022 0.0026 0.0072 588 GLY 40 O -0.0003 0.0052 0.0067 589 GLY 41 N -0.0009 -0.0015 0.0105 590 GLY 41 HN -0.0032 -0.0026 0.0134 591 GLY 41 CA 0.0013 -0.0016 0.0118 592 GLY 41 HA1 0.0002 -0.0031 0.0161 593 GLY 41 HA2 0.0060 -0.0009 0.0111 594 GLY 41 C -0.0012 -0.0008 0.0082 595 GLY 41 O 0.0015 -0.0004 0.0079 596 LYS 42 N -0.0081 0.0005 0.0023 597 LYS 42 HN -0.0089 0.0003 0.0015 598 LYS 42 CA -0.0081 0.0004 0.0025 599 LYS 42 HA -0.0072 0.0010 0.0033 600 LYS 42 CB -0.0085 -0.0013 0.0030 601 LYS 42 HB1 -0.0086 -0.0014 0.0028 602 LYS 42 HB2 -0.0092 -0.0020 0.0024 603 LYS 42 CG -0.0076 -0.0019 0.0045 604 LYS 42 HG1 -0.0074 -0.0019 0.0048 605 LYS 42 HG2 -0.0069 -0.0011 0.0051 606 LYS 42 CD -0.0079 -0.0035 0.0051 607 LYS 42 HD1 -0.0072 -0.0038 0.0063 608 LYS 42 HD2 -0.0081 -0.0035 0.0048 609 LYS 42 CE -0.0089 -0.0049 0.0047 610 LYS 42 HE1 -0.0090 -0.0060 0.0051 611 LYS 42 HE2 -0.0096 -0.0047 0.0035 612 LYS 42 NZ -0.0086 -0.0051 0.0051 613 LYS 42 HZ1 -0.0092 -0.0060 0.0049 614 LYS 42 HZ2 -0.0079 -0.0052 0.0062 615 LYS 42 HZ3 -0.0085 -0.0041 0.0047 616 LYS 42 C -0.0086 0.0013 0.0012 617 LYS 42 O -0.0094 0.0013 0.0001 618 VAL 43 N -0.0052 0.0019 0.0028 619 VAL 43 HN -0.0054 0.0018 0.0033 620 VAL 43 CA -0.0052 0.0018 0.0017 621 VAL 43 HA -0.0048 0.0021 0.0012 622 VAL 43 CB -0.0048 0.0021 0.0014 623 VAL 43 HB -0.0047 0.0021 0.0005 624 VAL 43 CG1 -0.0040 0.0030 0.0019 625 VAL 43 HG11 -0.0036 0.0032 0.0017 626 VAL 43 HG12 -0.0036 0.0033 0.0016 627 VAL 43 HG13 -0.0040 0.0030 0.0028 628 VAL 43 CG2 -0.0053 0.0017 0.0019 629 VAL 43 HG21 -0.0050 0.0020 0.0018 630 VAL 43 HG22 -0.0055 0.0017 0.0028 631 VAL 43 HG23 -0.0059 0.0011 0.0015 632 VAL 43 C -0.0060 0.0010 0.0012 633 VAL 43 O -0.0066 0.0005 0.0018 634 ALA 44 N -0.0025 -0.0021 0.0012 635 ALA 44 HN -0.0019 -0.0029 0.0013 636 ALA 44 CA -0.0023 -0.0023 0.0012 637 ALA 44 HA -0.0031 -0.0014 0.0010 638 ALA 44 CB -0.0004 -0.0020 0.0018 639 ALA 44 HB1 -0.0001 -0.0006 0.0020 640 ALA 44 HB2 0.0004 -0.0030 0.0020 641 ALA 44 HB3 -0.0003 -0.0021 0.0018 642 ALA 44 C -0.0028 -0.0042 0.0009 643 ALA 44 O -0.0025 -0.0054 0.0009 644 LEU 45 N -0.0035 -0.0008 -0.0056 645 LEU 45 HN -0.0037 -0.0002 -0.0055 646 LEU 45 CA -0.0040 -0.0020 -0.0059 647 LEU 45 HA -0.0038 -0.0026 -0.0060 648 LEU 45 CB -0.0053 -0.0018 -0.0063 649 LEU 45 HB1 -0.0057 -0.0028 -0.0065 650 LEU 45 HB2 -0.0055 -0.0013 -0.0062 651 LEU 45 CG -0.0061 -0.0013 -0.0064 652 LEU 45 HG -0.0058 -0.0003 -0.0061 653 LEU 45 CD1 -0.0074 -0.0010 -0.0067 654 LEU 45 HD11 -0.0080 -0.0006 -0.0067 655 LEU 45 HD12 -0.0075 -0.0004 -0.0066 656 LEU 45 HD13 -0.0078 -0.0019 -0.0069 657 LEU 45 CD2 -0.0061 -0.0021 -0.0065 658 LEU 45 HD21 -0.0060 -0.0030 -0.0066 659 LEU 45 HD22 -0.0053 -0.0018 -0.0062 660 LEU 45 HD23 -0.0069 -0.0019 -0.0067 661 LEU 45 C -0.0033 -0.0026 -0.0059 662 LEU 45 O -0.0033 -0.0021 -0.0058 663 LYS 46 N -0.0074 -0.0056 -0.0068 664 LYS 46 HN -0.0081 -0.0074 -0.0069 665 LYS 46 CA -0.0058 -0.0058 -0.0050 666 LYS 46 HA -0.0054 -0.0038 -0.0052 667 LYS 46 CB -0.0039 -0.0061 -0.0027 668 LYS 46 HB1 -0.0035 -0.0044 -0.0029 669 LYS 46 HB2 -0.0026 -0.0056 -0.0015 670 LYS 46 CG -0.0040 -0.0090 -0.0018 671 LYS 46 HG1 -0.0042 -0.0106 -0.0014 672 LYS 46 HG2 -0.0053 -0.0096 -0.0030 673 LYS 46 CD -0.0020 -0.0088 0.0003 674 LYS 46 HD1 -0.0020 -0.0074 -0.0002 675 LYS 46 HD2 -0.0007 -0.0079 0.0014 676 LYS 46 CE -0.0018 -0.0116 0.0016 677 LYS 46 HE1 -0.0017 -0.0131 0.0023 678 LYS 46 HE2 -0.0031 -0.0127 0.0006 679 LYS 46 NZ 0.0001 -0.0111 0.0035 680 LYS 46 HZ1 -0.0003 -0.0105 0.0029 681 LYS 46 HZ2 0.0006 -0.0129 0.0047 682 LYS 46 HZ3 0.0012 -0.0095 0.0041 683 LYS 46 C -0.0066 -0.0081 -0.0049 684 LYS 46 O -0.0080 -0.0101 -0.0057 685 THR 47 N -0.0098 -0.0058 -0.0086 686 THR 47 HN -0.0091 -0.0044 -0.0081 687 THR 47 CA -0.0098 -0.0056 -0.0076 688 THR 47 HA -0.0100 -0.0063 -0.0092 689 THR 47 CB -0.0084 -0.0029 -0.0070 690 THR 47 HB -0.0083 -0.0028 -0.0067 691 THR 47 OG1 -0.0080 -0.0017 -0.0047 692 THR 47 HG1 -0.0071 -0.0001 -0.0048 693 THR 47 CG2 -0.0072 -0.0015 -0.0095 694 THR 47 HG21 -0.0071 -0.0014 -0.0099 695 THR 47 HG22 -0.0062 0.0004 -0.0092 696 THR 47 HG23 -0.0074 -0.0023 -0.0114 697 THR 47 C -0.0109 -0.0069 -0.0051 698 THR 47 O -0.0116 -0.0079 -0.0038 699 HIS 48 N -0.0166 -0.0042 0.0013 700 HIS 48 HN -0.0159 -0.0029 -0.0016 701 HIS 48 CA -0.0168 -0.0041 0.0015 702 HIS 48 HA -0.0153 -0.0071 0.0026 703 HIS 48 CB -0.0157 -0.0021 -0.0028 704 HIS 48 HB1 -0.0132 -0.0038 -0.0049 705 HIS 48 HB2 -0.0158 -0.0021 -0.0027 706 HIS 48 CD2 -0.0195 0.0053 -0.0058 707 HIS 48 HD2 -0.0201 0.0058 -0.0054 708 HIS 48 CG -0.0176 0.0019 -0.0048 709 HIS 48 NE2 -0.0205 0.0082 -0.0076 710 HIS 48 HE2 -0.0219 0.0110 -0.0089 711 HIS 48 ND1 -0.0174 0.0027 -0.0060 712 HIS 48 HD1 -0.0162 0.0008 -0.0056 713 HIS 48 CE1 -0.0192 0.0064 -0.0076 714 HIS 48 HE1 -0.0196 0.0080 -0.0089 715 HIS 48 C -0.0202 -0.0021 0.0044 716 HIS 48 O -0.0206 -0.0029 0.0062 717 CYS 49 N -0.0172 0.0003 0.0067 718 CYS 49 HN -0.0152 0.0026 0.0010 719 CYS 49 CA -0.0166 0.0051 0.0139 720 CYS 49 HA -0.0185 0.0033 0.0198 721 CYS 49 CB -0.0126 0.0141 0.0129 722 CYS 49 HB1 -0.0107 0.0161 0.0072 723 CYS 49 HB2 -0.0123 0.0143 0.0117 724 CYS 49 SG -0.0116 0.0209 0.0222 725 CYS 49 HG1 -0.0132 0.0176 0.0235 726 CYS 49 C -0.0171 0.0041 0.0143 727 CYS 49 O -0.0166 0.0077 0.0198 728 GLY 50 N -0.0088 -0.0003 0.0031 729 GLY 50 HN -0.0108 -0.0017 0.0015 730 GLY 50 CA -0.0087 0.0005 0.0015 731 GLY 50 HA1 -0.0079 0.0001 0.0043 732 GLY 50 HA2 -0.0112 -0.0012 -0.0005 733 GLY 50 C -0.0064 0.0041 -0.0012 734 GLY 50 O -0.0054 0.0054 -0.0017 735 LYS 51 N -0.0025 -0.0021 -0.0047 736 LYS 51 HN -0.0024 -0.0021 -0.0053 737 LYS 51 CA -0.0004 0.0011 -0.0071 738 LYS 51 HA -0.0004 0.0017 -0.0051 739 LYS 51 CB 0.0019 0.0055 -0.0073 740 LYS 51 HB1 0.0034 0.0079 -0.0090 741 LYS 51 HB2 0.0021 0.0049 -0.0098 742 LYS 51 CG 0.0021 0.0075 -0.0024 743 LYS 51 HG1 0.0037 0.0103 -0.0031 744 LYS 51 HG2 0.0005 0.0051 -0.0005 745 LYS 51 CD 0.0025 0.0094 0.0010 746 LYS 51 HD1 0.0010 0.0067 0.0016 747 LYS 51 HD2 0.0042 0.0119 -0.0009 748 LYS 51 CE 0.0026 0.0113 0.0059 749 LYS 51 HE1 0.0039 0.0135 0.0054 750 LYS 51 HE2 0.0009 0.0086 0.0082 751 LYS 51 NZ 0.0035 0.0139 0.0087 752 LYS 51 HZ1 0.0034 0.0148 0.0122 753 LYS 51 HZ2 0.0053 0.0166 0.0069 754 LYS 51 HZ3 0.0025 0.0120 0.0090 755 LYS 51 C -0.0006 -0.0009 -0.0122 756 LYS 51 O -0.0012 -0.0029 -0.0148 757 TYR 52 N 0.0057 0.0026 -0.0045 758 TYR 52 HN 0.0050 0.0033 -0.0034 759 TYR 52 CA 0.0062 0.0017 -0.0045 760 TYR 52 HA 0.0071 0.0006 -0.0053 761 TYR 52 CB 0.0063 0.0011 -0.0024 762 TYR 52 HB1 0.0065 0.0008 -0.0023 763 TYR 52 HB2 0.0055 0.0022 -0.0014 764 TYR 52 CG 0.0071 -0.0003 -0.0014 765 TYR 52 CD1 0.0069 -0.0001 -0.0008 766 TYR 52 HD1 0.0061 0.0011 -0.0009 767 TYR 52 CE1 0.0077 -0.0014 0.0001 768 TYR 52 HE1 0.0075 -0.0012 0.0006 769 TYR 52 CZ 0.0087 -0.0030 0.0003 770 TYR 52 OH 0.0095 -0.0044 0.0011 771 TYR 52 HH 0.0101 -0.0053 0.0013 772 TYR 52 CD2 0.0082 -0.0019 -0.0012 773 TYR 52 HD2 0.0084 -0.0021 -0.0017 774 TYR 52 CE2 0.0089 -0.0032 -0.0003 775 TYR 52 HE2 0.0097 -0.0044 -0.0002 776 TYR 52 C 0.0057 0.0027 -0.0055 777 TYR 52 O 0.0047 0.0042 -0.0052 778 LEU 53 N 0.0012 -0.0006 -0.0097 779 LEU 53 HN 0.0011 -0.0013 -0.0098 780 LEU 53 CA -0.0000 0.0003 -0.0103 781 LEU 53 HA -0.0001 0.0003 -0.0104 782 LEU 53 CB -0.0013 -0.0004 -0.0111 783 LEU 53 HB1 -0.0021 0.0005 -0.0115 784 LEU 53 HB2 -0.0012 -0.0006 -0.0111 785 LEU 53 CG -0.0018 -0.0018 -0.0114 786 LEU 53 HG -0.0017 -0.0016 -0.0114 787 LEU 53 CD1 -0.0009 -0.0033 -0.0110 788 LEU 53 HD11 -0.0013 -0.0043 -0.0112 789 LEU 53 HD12 0.0001 -0.0031 -0.0104 790 LEU 53 HD13 -0.0009 -0.0035 -0.0110 791 LEU 53 CD2 -0.0032 -0.0021 -0.0122 792 LEU 53 HD21 -0.0039 -0.0012 -0.0126 793 LEU 53 HD22 -0.0036 -0.0031 -0.0125 794 LEU 53 HD23 -0.0033 -0.0024 -0.0123 795 LEU 53 C 0.0002 0.0019 -0.0102 796 LEU 53 O 0.0006 0.0023 -0.0099 797 SER 54 N 0.0077 0.0004 -0.0093 798 SER 54 HN 0.0060 0.0001 -0.0109 799 SER 54 CA 0.0070 0.0037 -0.0068 800 SER 54 HA 0.0084 0.0038 -0.0056 801 SER 54 CB 0.0078 0.0055 -0.0045 802 SER 54 HB1 0.0063 0.0055 -0.0058 803 SER 54 HB2 0.0105 0.0040 -0.0035 804 SER 54 OG 0.0072 0.0087 -0.0020 805 SER 54 HG1 0.0092 0.0085 -0.0006 806 SER 54 C 0.0033 0.0055 -0.0084 807 SER 54 O 0.0013 0.0046 -0.0109 808 ILE 55 N 0.0032 0.0011 -0.0058 809 ILE 55 HN 0.0033 0.0020 -0.0065 810 ILE 55 CA 0.0027 0.0014 -0.0060 811 ILE 55 HA 0.0024 0.0003 -0.0051 812 ILE 55 CB 0.0008 0.0025 -0.0068 813 ILE 55 HB 0.0012 0.0038 -0.0079 814 ILE 55 CG2 -0.0009 0.0020 -0.0063 815 ILE 55 HG21 -0.0013 0.0007 -0.0052 816 ILE 55 HG22 -0.0005 0.0021 -0.0064 817 ILE 55 HG23 -0.0024 0.0027 -0.0068 818 ILE 55 CG1 0.0001 0.0026 -0.0068 819 ILE 55 HG11 0.0011 0.0034 -0.0075 820 ILE 55 HG12 -0.0015 0.0032 -0.0073 821 ILE 55 CD -0.0000 0.0010 -0.0055 822 ILE 55 HD1 0.0016 0.0004 -0.0052 823 ILE 55 HD2 -0.0009 0.0001 -0.0048 824 ILE 55 HD3 -0.0007 0.0011 -0.0056 825 ILE 55 C 0.0047 0.0020 -0.0066 826 ILE 55 O 0.0047 0.0024 -0.0069 827 GLY 56 N 0.0048 0.0085 0.0021 828 GLY 56 HN 0.0060 0.0084 0.0017 829 GLY 56 CA 0.0042 0.0086 0.0022 830 GLY 56 HA1 0.0037 0.0078 0.0013 831 GLY 56 HA2 0.0053 0.0089 0.0024 832 GLY 56 C 0.0029 0.0093 0.0034 833 GLY 56 O 0.0030 0.0102 0.0045 834 ASP 57 N 0.0166 -0.0056 0.0123 835 ASP 57 HN 0.0084 0.0134 0.0203 836 ASP 57 CA 0.0272 -0.0112 0.0051 837 ASP 57 HA 0.0255 -0.0349 0.0022 838 ASP 57 CB 0.0120 0.0054 0.0168 839 ASP 57 HB1 0.0196 0.0019 0.0117 840 ASP 57 HB2 0.0135 0.0297 0.0199 841 ASP 57 CG -0.0169 -0.0048 0.0323 842 ASP 57 OD1 -0.0252 -0.0281 0.0334 843 ASP 57 OD2 -0.0307 0.0107 0.0430 844 ASP 57 C 0.0560 0.0004 -0.0100 845 ASP 57 O 0.0667 0.0027 -0.0160 846 HIS 58 N 0.0406 -0.0036 -0.0208 847 HIS 58 HN 0.0396 -0.0025 -0.0207 848 HIS 58 CA 0.0352 -0.0088 -0.0159 849 HIS 58 HA 0.0338 -0.0059 -0.0164 850 HIS 58 CB 0.0401 -0.0183 -0.0143 851 HIS 58 HB1 0.0427 -0.0208 -0.0146 852 HIS 58 HB2 0.0455 -0.0181 -0.0172 853 HIS 58 CD2 0.0343 -0.0329 -0.0054 854 HIS 58 HD2 0.0370 -0.0363 -0.0053 855 HIS 58 CG 0.0352 -0.0249 -0.0091 856 HIS 58 NE2 0.0293 -0.0364 -0.0015 857 HIS 58 HE2 0.0278 -0.0424 0.0018 858 HIS 58 ND1 0.0307 -0.0232 -0.0076 859 HIS 58 HD1 0.0302 -0.0179 -0.0096 860 HIS 58 CE1 0.0274 -0.0303 -0.0030 861 HIS 58 HE1 0.0236 -0.0313 -0.0008 862 HIS 58 C 0.0266 -0.0087 -0.0117 863 HIS 58 O 0.0249 -0.0055 -0.0122 864 LYS 59 N 0.0201 -0.0189 -0.0116 865 LYS 59 HN 0.0235 -0.0232 -0.0112 866 LYS 59 CA 0.0132 -0.0168 -0.0052 867 LYS 59 HA 0.0100 -0.0109 -0.0075 868 LYS 59 CB 0.0119 -0.0207 0.0004 869 LYS 59 HB1 0.0067 -0.0194 0.0055 870 LYS 59 HB2 0.0154 -0.0268 0.0026 871 LYS 59 CG 0.0128 -0.0187 -0.0028 872 LYS 59 HG1 0.0114 -0.0214 0.0018 873 LYS 59 HG2 0.0183 -0.0212 -0.0070 874 LYS 59 CD 0.0090 -0.0103 -0.0069 875 LYS 59 HD1 0.0096 -0.0095 -0.0085 876 LYS 59 HD2 0.0116 -0.0081 -0.0123 877 LYS 59 CE 0.0014 -0.0055 -0.0026 878 LYS 59 HE1 -0.0008 0.0004 -0.0061 879 LYS 59 HE2 0.0007 -0.0056 -0.0017 880 LYS 59 NZ -0.0025 -0.0081 0.0048 881 LYS 59 HZ1 -0.0017 -0.0084 0.0043 882 LYS 59 HZ2 -0.0009 -0.0133 0.0083 883 LYS 59 HZ3 -0.0076 -0.0044 0.0074 884 LYS 59 C 0.0106 -0.0181 -0.0007 885 LYS 59 O 0.0046 -0.0138 0.0022 886 GLN 60 N 0.0115 -0.0253 -0.0034 887 GLN 60 HN 0.0132 -0.0288 -0.0056 888 GLN 60 CA 0.0115 -0.0258 -0.0033 889 GLN 60 HA 0.0091 -0.0233 0.0005 890 GLN 60 CB 0.0123 -0.0331 -0.0029 891 GLN 60 HB1 0.0121 -0.0330 -0.0024 892 GLN 60 HB2 0.0150 -0.0355 -0.0072 893 GLN 60 CG 0.0101 -0.0377 0.0024 894 GLN 60 HG1 0.0105 -0.0425 0.0029 895 GLN 60 HG2 0.0110 -0.0391 0.0012 896 GLN 60 CD 0.0064 -0.0345 0.0083 897 GLN 60 OE1 0.0052 -0.0323 0.0101 898 GLN 60 NE2 0.0046 -0.0342 0.0116 899 GLN 60 HE21 0.0057 -0.0356 0.0100 900 GLN 60 HE22 0.0022 -0.0326 0.0157 901 GLN 60 C 0.0140 -0.0221 -0.0089 902 GLN 60 O 0.0167 -0.0225 -0.0138 903 VAL 61 N 0.0031 -0.0098 -0.0087 904 VAL 61 HN 0.0025 -0.0094 -0.0063 905 VAL 61 CA 0.0026 -0.0073 -0.0112 906 VAL 61 HA 0.0025 -0.0064 -0.0127 907 VAL 61 CB 0.0011 -0.0045 -0.0095 908 VAL 61 HB 0.0011 -0.0055 -0.0075 909 VAL 61 CG1 0.0006 -0.0020 -0.0120 910 VAL 61 HG11 0.0006 -0.0011 -0.0140 911 VAL 61 HG12 -0.0006 0.0001 -0.0106 912 VAL 61 HG13 0.0012 -0.0030 -0.0132 913 VAL 61 CG2 -0.0000 -0.0028 -0.0076 914 VAL 61 HG21 -0.0012 -0.0007 -0.0064 915 VAL 61 HG22 -0.0000 -0.0019 -0.0094 916 VAL 61 HG23 0.0002 -0.0045 -0.0055 917 VAL 61 C 0.0037 -0.0086 -0.0137 918 VAL 61 O 0.0042 -0.0105 -0.0128 919 TYR 62 N 0.0057 0.0004 -0.0149 920 TYR 62 HN 0.0052 0.0006 -0.0156 921 TYR 62 CA 0.0070 0.0004 -0.0137 922 TYR 62 HA 0.0075 0.0003 -0.0131 923 TYR 62 CB 0.0080 0.0016 -0.0141 924 TYR 62 HB1 0.0076 0.0016 -0.0144 925 TYR 62 HB2 0.0080 0.0025 -0.0150 926 TYR 62 CG 0.0095 0.0019 -0.0129 927 TYR 62 CD1 0.0101 0.0016 -0.0119 928 TYR 62 HD1 0.0095 0.0012 -0.0121 929 TYR 62 CE1 0.0115 0.0018 -0.0108 930 TYR 62 HE1 0.0119 0.0015 -0.0101 931 TYR 62 CZ 0.0123 0.0023 -0.0106 932 TYR 62 OH 0.0137 0.0025 -0.0094 933 TYR 62 HH 0.0139 0.0024 -0.0091 934 TYR 62 CD2 0.0104 0.0024 -0.0126 935 TYR 62 HD2 0.0099 0.0027 -0.0134 936 TYR 62 CE2 0.0118 0.0026 -0.0115 937 TYR 62 HE2 0.0124 0.0030 -0.0113 938 TYR 62 C 0.0065 -0.0009 -0.0126 939 TYR 62 O 0.0054 -0.0015 -0.0131 940 LEU 63 N 0.0049 0.0035 -0.0164 941 LEU 63 HN 0.0055 0.0039 -0.0161 942 LEU 63 CA 0.0045 0.0027 -0.0155 943 LEU 63 HA 0.0038 0.0024 -0.0159 944 LEU 63 CB 0.0043 0.0020 -0.0146 945 LEU 63 HB1 0.0051 0.0022 -0.0140 946 LEU 63 HB2 0.0040 0.0021 -0.0151 947 LEU 63 CG 0.0035 0.0010 -0.0140 948 LEU 63 HG 0.0038 0.0010 -0.0137 949 LEU 63 CD1 0.0024 0.0006 -0.0148 950 LEU 63 HD11 0.0021 0.0006 -0.0152 951 LEU 63 HD12 0.0018 -0.0001 -0.0144 952 LEU 63 HD13 0.0023 0.0010 -0.0156 953 LEU 63 CD2 0.0036 0.0004 -0.0130 954 LEU 63 HD21 0.0030 -0.0003 -0.0125 955 LEU 63 HD22 0.0035 0.0005 -0.0133 956 LEU 63 HD23 0.0045 0.0007 -0.0123 957 LEU 63 C 0.0054 0.0030 -0.0148 958 LEU 63 O 0.0063 0.0034 -0.0144 959 SER 64 N 0.0103 0.0056 -0.0104 960 SER 64 HN 0.0110 0.0042 -0.0109 961 SER 64 CA 0.0102 0.0061 -0.0078 962 SER 64 HA 0.0094 0.0079 -0.0075 963 SER 64 CB 0.0106 0.0054 -0.0066 964 SER 64 HB1 0.0114 0.0037 -0.0071 965 SER 64 HB2 0.0101 0.0065 -0.0074 966 SER 64 OG 0.0106 0.0058 -0.0040 967 SER 64 HG1 0.0113 0.0044 -0.0033 968 SER 64 C 0.0109 0.0049 -0.0066 969 SER 64 O 0.0117 0.0032 -0.0074 970 HIS 65 N 0.0177 0.0105 -0.0033 971 HIS 65 HN 0.0221 0.0095 -0.0064 972 HIS 65 CA 0.0099 0.0116 0.0012 973 HIS 65 HA 0.0067 0.0135 0.0054 974 HIS 65 CB 0.0125 0.0149 0.0059 975 HIS 65 HB1 0.0156 0.0130 0.0017 976 HIS 65 HB2 0.0177 0.0183 0.0099 977 HIS 65 CD2 0.0002 0.0148 0.0097 978 HIS 65 HD2 0.0017 0.0125 0.0052 979 HIS 65 CG 0.0045 0.0162 0.0107 980 HIS 65 NE2 -0.0069 0.0170 0.0156 981 HIS 65 HE2 -0.0116 0.0165 0.0163 982 HIS 65 ND1 0.0003 0.0193 0.0172 983 HIS 65 HD1 0.0021 0.0209 0.0193 984 HIS 65 CE1 -0.0066 0.0196 0.0199 985 HIS 65 HE1 -0.0117 0.0215 0.0248 986 HIS 65 C 0.0030 0.0069 -0.0046 987 HIS 65 O 0.0048 0.0041 -0.0099 988 HIS 66 N 0.0025 0.0106 0.0004 989 HIS 66 HN 0.0051 0.0231 0.0020 990 HIS 66 CA -0.0008 0.0055 -0.0016 991 HIS 66 HA 0.0005 0.0175 -0.0008 992 HIS 66 CB -0.0172 -0.0003 -0.0116 993 HIS 66 HB1 -0.0193 -0.0031 -0.0128 994 HIS 66 HB2 -0.0194 -0.0124 -0.0129 995 HIS 66 CD2 -0.0422 0.0117 -0.0268 996 HIS 66 HD2 -0.0483 -0.0001 -0.0306 997 HIS 66 CG -0.0283 0.0133 -0.0184 998 HIS 66 NE2 -0.0476 0.0283 -0.0302 999 HIS 66 HE2 -0.0580 0.0316 -0.0365 1000 HIS 66 ND1 -0.0249 0.0307 -0.0163 1001 HIS 66 HD1 -0.0155 0.0359 -0.0106 1002 HIS 66 CE1 -0.0368 0.0392 -0.0236 1003 HIS 66 HE1 -0.0380 0.0534 -0.0243 1004 HIS 66 C 0.0106 -0.0070 0.0054 1005 HIS 66 O 0.0210 -0.0128 0.0117 1006 LEU 67 N 0.0193 0.0017 0.0188 1007 LEU 67 HN 0.0202 0.0004 0.0201 1008 LEU 67 CA 0.0179 0.0032 0.0169 1009 LEU 67 HA 0.0165 0.0029 0.0151 1010 LEU 67 CB 0.0175 0.0014 0.0167 1011 LEU 67 HB1 0.0190 0.0015 0.0184 1012 LEU 67 HB2 0.0172 -0.0011 0.0165 1013 LEU 67 CG 0.0159 0.0024 0.0145 1014 LEU 67 HG 0.0164 0.0047 0.0149 1015 LEU 67 CD1 0.0139 0.0030 0.0120 1016 LEU 67 HD11 0.0141 0.0051 0.0120 1017 LEU 67 HD12 0.0134 0.0009 0.0116 1018 LEU 67 HD13 0.0127 0.0034 0.0105 1019 LEU 67 CD2 0.0154 -0.0001 0.0141 1020 LEU 67 HD21 0.0142 0.0007 0.0127 1021 LEU 67 HD22 0.0148 -0.0024 0.0137 1022 LEU 67 HD23 0.0167 -0.0005 0.0159 1023 LEU 67 C 0.0184 0.0068 0.0171 1024 LEU 67 O 0.0198 0.0079 0.0187 1025 HIS 68 N 0.0267 0.0032 0.0190 1026 HIS 68 HN 0.0249 0.0016 0.0149 1027 HIS 68 CA 0.0235 0.0087 0.0217 1028 HIS 68 HA 0.0246 0.0104 0.0251 1029 HIS 68 CB 0.0179 0.0113 0.0176 1030 HIS 68 HB1 0.0166 0.0097 0.0141 1031 HIS 68 HB2 0.0174 0.0103 0.0159 1032 HIS 68 CD2 0.0100 0.0204 0.0187 1033 HIS 68 HD2 0.0079 0.0195 0.0150 1034 HIS 68 CG 0.0145 0.0171 0.0204 1035 HIS 68 NE2 0.0085 0.0253 0.0228 1036 HIS 68 HE2 0.0057 0.0286 0.0233 1037 HIS 68 ND1 0.0158 0.0198 0.0254 1038 HIS 68 HD1 0.0189 0.0184 0.0277 1039 HIS 68 CE1 0.0122 0.0247 0.0267 1040 HIS 68 HE1 0.0120 0.0280 0.0305 1041 HIS 68 C 0.0244 0.0101 0.0245 1042 HIS 68 O 0.0254 0.0073 0.0224 1043 GLY 69 N 0.0307 0.0304 0.0378 1044 GLY 69 HN 0.0283 0.0364 0.0412 1045 GLY 69 CA 0.0330 0.0344 0.0451 1046 GLY 69 HA1 0.0337 0.0422 0.0547 1047 GLY 69 HA2 0.0408 0.0258 0.0463 1048 GLY 69 C 0.0235 0.0395 0.0381 1049 GLY 69 O 0.0257 0.0361 0.0374 1050 ASP 70 N 0.0309 0.0241 0.0452 1051 ASP 70 HN 0.0281 0.0268 0.0455 1052 ASP 70 CA 0.0214 0.0288 0.0394 1053 ASP 70 HA 0.0239 0.0309 0.0455 1054 ASP 70 CB 0.0094 0.0399 0.0393 1055 ASP 70 HB1 0.0026 0.0443 0.0366 1056 ASP 70 HB2 0.0059 0.0382 0.0323 1057 ASP 70 CG 0.0115 0.0478 0.0532 1058 ASP 70 OD1 0.0142 0.0517 0.0621 1059 ASP 70 OD2 0.0111 0.0495 0.0550 1060 ASP 70 C 0.0198 0.0204 0.0254 1061 ASP 70 O 0.0224 0.0129 0.0183 1062 HIS 71 N 0.0098 0.0152 0.0196 1063 HIS 71 HN 0.0090 0.0173 0.0221 1064 HIS 71 CA 0.0091 0.0129 0.0142 1065 HIS 71 HA 0.0106 0.0120 0.0151 1066 HIS 71 CB 0.0041 0.0160 0.0112 1067 HIS 71 HB1 0.0036 0.0144 0.0074 1068 HIS 71 HB2 0.0023 0.0171 0.0102 1069 HIS 71 CD2 -0.0014 0.0240 0.0166 1070 HIS 71 HD2 -0.0033 0.0256 0.0162 1071 HIS 71 CG 0.0019 0.0198 0.0145 1072 HIS 71 NE2 -0.0020 0.0262 0.0194 1073 HIS 71 HE2 -0.0041 0.0293 0.0215 1074 HIS 71 ND1 0.0035 0.0192 0.0160 1075 HIS 71 HD1 0.0059 0.0164 0.0151 1076 HIS 71 CE1 0.0010 0.0231 0.0190 1077 HIS 71 HE1 0.0013 0.0238 0.0208 1078 HIS 71 C 0.0114 0.0087 0.0105 1079 HIS 71 O 0.0092 0.0083 0.0061 1080 SER 72 N 0.0072 0.0077 0.0053 1081 SER 72 HN 0.0083 0.0090 0.0060 1082 SER 72 CA 0.0075 0.0035 0.0061 1083 SER 72 HA 0.0059 0.0024 0.0050 1084 SER 72 CB 0.0109 0.0027 0.0087 1085 SER 72 HB1 0.0110 -0.0004 0.0092 1086 SER 72 HB2 0.0126 0.0035 0.0100 1087 SER 72 OG 0.0118 0.0048 0.0091 1088 SER 72 HG1 0.0124 0.0074 0.0093 1089 SER 72 C 0.0069 0.0012 0.0059 1090 SER 72 O 0.0075 -0.0022 0.0068 1091 LEU 73 N -0.0041 0.0002 0.0049 1092 LEU 73 HN -0.0044 0.0016 0.0045 1093 LEU 73 CA -0.0045 -0.0013 0.0045 1094 LEU 73 HA -0.0040 -0.0028 0.0050 1095 LEU 73 CB -0.0039 -0.0006 0.0051 1096 LEU 73 HB1 -0.0040 -0.0019 0.0050 1097 LEU 73 HB2 -0.0045 0.0007 0.0044 1098 LEU 73 CG -0.0023 0.0001 0.0068 1099 LEU 73 HG -0.0022 0.0014 0.0069 1100 LEU 73 CD1 -0.0020 0.0008 0.0072 1101 LEU 73 HD11 -0.0009 0.0014 0.0084 1102 LEU 73 HD12 -0.0027 0.0021 0.0064 1103 LEU 73 HD13 -0.0020 -0.0005 0.0071 1104 LEU 73 CD2 -0.0013 -0.0016 0.0079 1105 LEU 73 HD21 -0.0016 -0.0021 0.0076 1106 LEU 73 HD22 -0.0002 -0.0010 0.0091 1107 LEU 73 HD23 -0.0014 -0.0030 0.0078 1108 LEU 73 C -0.0061 -0.0015 0.0028 1109 LEU 73 O -0.0068 0.0000 0.0019 1110 PHE 74 N -0.0044 0.0008 -0.0014 1111 PHE 74 HN -0.0039 0.0003 -0.0013 1112 PHE 74 CA -0.0054 0.0005 -0.0018 1113 PHE 74 HA -0.0060 0.0012 -0.0019 1114 PHE 74 CB -0.0057 -0.0005 -0.0021 1115 PHE 74 HB1 -0.0065 -0.0008 -0.0024 1116 PHE 74 HB2 -0.0051 -0.0012 -0.0020 1117 PHE 74 CG -0.0057 -0.0004 -0.0021 1118 PHE 74 CD1 -0.0048 -0.0006 -0.0018 1119 PHE 74 HD1 -0.0041 -0.0008 -0.0015 1120 PHE 74 CE1 -0.0048 -0.0006 -0.0018 1121 PHE 74 HE1 -0.0041 -0.0007 -0.0015 1122 PHE 74 CZ -0.0057 -0.0003 -0.0020 1123 PHE 74 HZ -0.0057 -0.0002 -0.0020 1124 PHE 74 CD2 -0.0066 -0.0002 -0.0023 1125 PHE 74 HD2 -0.0073 -0.0000 -0.0026 1126 PHE 74 CE2 -0.0066 -0.0001 -0.0023 1127 PHE 74 HE2 -0.0073 0.0001 -0.0026 1128 PHE 74 C -0.0057 0.0004 -0.0020 1129 PHE 74 O -0.0051 0.0003 -0.0017 1130 HIS 75 N -0.0070 0.0002 0.0026 1131 HIS 75 HN -0.0089 -0.0010 0.0032 1132 HIS 75 CA -0.0027 0.0020 0.0046 1133 HIS 75 HA -0.0008 0.0034 0.0033 1134 HIS 75 CB -0.0023 0.0006 0.0099 1135 HIS 75 HB1 -0.0043 -0.0008 0.0112 1136 HIS 75 HB2 -0.0036 -0.0003 0.0107 1137 HIS 75 CD2 0.0058 0.0047 0.0114 1138 HIS 75 HD2 0.0068 0.0062 0.0081 1139 HIS 75 CG 0.0020 0.0022 0.0126 1140 HIS 75 NE2 0.0085 0.0050 0.0154 1141 HIS 75 HE2 0.0116 0.0066 0.0157 1142 HIS 75 ND1 0.0022 0.0010 0.0173 1143 HIS 75 HD1 -0.0001 -0.0009 0.0191 1144 HIS 75 CE1 0.0062 0.0027 0.0188 1145 HIS 75 HE1 0.0076 0.0024 0.0224 1146 HIS 75 C -0.0011 0.0033 0.0033 1147 HIS 75 O -0.0029 0.0021 0.0040 1148 LEU 76 N 0.0004 0.0029 0.0009 1149 LEU 76 HN 0.0013 0.0030 0.0011 1150 LEU 76 CA 0.0013 0.0033 -0.0007 1151 LEU 76 HA -0.0001 0.0032 -0.0014 1152 LEU 76 CB 0.0027 0.0038 -0.0028 1153 LEU 76 HB1 0.0033 0.0040 -0.0041 1154 LEU 76 HB2 0.0043 0.0039 -0.0020 1155 LEU 76 CG 0.0012 0.0038 -0.0041 1156 LEU 76 HG 0.0006 0.0035 -0.0028 1157 LEU 76 CD1 0.0028 0.0042 -0.0059 1158 LEU 76 HD11 0.0036 0.0046 -0.0072 1159 LEU 76 HD12 0.0018 0.0043 -0.0069 1160 LEU 76 HD13 0.0043 0.0043 -0.0049 1161 LEU 76 CD2 -0.0010 0.0037 -0.0055 1162 LEU 76 HD21 -0.0022 0.0033 -0.0042 1163 LEU 76 HD22 -0.0020 0.0037 -0.0064 1164 LEU 76 HD23 -0.0004 0.0040 -0.0068 1165 LEU 76 C 0.0032 0.0033 0.0007 1166 LEU 76 O 0.0050 0.0034 0.0016 1167 GLU 77 N 0.0049 0.0053 -0.0011 1168 GLU 77 HN 0.0025 0.0055 -0.0023 1169 GLU 77 CA 0.0080 0.0051 0.0008 1170 GLU 77 HA 0.0100 0.0047 0.0025 1171 GLU 77 CB 0.0062 0.0041 0.0035 1172 GLU 77 HB1 0.0087 0.0040 0.0047 1173 GLU 77 HB2 0.0040 0.0044 0.0018 1174 GLU 77 CG 0.0039 0.0029 0.0068 1175 GLU 77 HG1 0.0008 0.0030 0.0058 1176 GLU 77 HG2 0.0056 0.0028 0.0078 1177 GLU 77 CD 0.0035 0.0019 0.0104 1178 GLU 77 OE1 0.0013 0.0017 0.0102 1179 GLU 77 OE2 0.0052 0.0011 0.0135 1180 GLU 77 C 0.0103 0.0062 -0.0025 1181 GLU 77 O 0.0087 0.0067 -0.0048 1182 HIS 78 N 0.0041 0.0108 -0.0052 1183 HIS 78 HN 0.0049 0.0112 -0.0044 1184 HIS 78 CA 0.0042 0.0092 -0.0064 1185 HIS 78 HA 0.0035 0.0088 -0.0072 1186 HIS 78 CB 0.0061 0.0083 -0.0062 1187 HIS 78 HB1 0.0063 0.0072 -0.0071 1188 HIS 78 HB2 0.0069 0.0088 -0.0053 1189 HIS 78 CD2 0.0078 0.0085 -0.0052 1190 HIS 78 HD2 0.0083 0.0093 -0.0041 1191 HIS 78 CG 0.0068 0.0079 -0.0062 1192 HIS 78 NE2 0.0082 0.0077 -0.0056 1193 HIS 78 HE2 0.0089 0.0079 -0.0051 1194 HIS 78 ND1 0.0065 0.0068 -0.0073 1195 HIS 78 HD1 0.0059 0.0061 -0.0083 1196 HIS 78 CE1 0.0074 0.0067 -0.0069 1197 HIS 78 HE1 0.0074 0.0059 -0.0076 1198 HIS 78 C 0.0035 0.0091 -0.0069 1199 HIS 78 O 0.0039 0.0097 -0.0062 1200 HIS 79 N -0.0094 0.0035 -0.0153 1201 HIS 79 HN -0.0072 0.0072 -0.0113 1202 HIS 79 CA -0.0085 0.0028 -0.0164 1203 HIS 79 HA -0.0133 -0.0005 -0.0192 1204 HIS 79 CB 0.0002 0.0016 -0.0199 1205 HIS 79 HB1 0.0010 0.0018 -0.0199 1206 HIS 79 HB2 0.0051 0.0047 -0.0173 1207 HIS 79 CD2 0.0078 -0.0052 -0.0301 1208 HIS 79 HD2 0.0124 -0.0026 -0.0280 1209 HIS 79 CG 0.0019 -0.0038 -0.0270 1210 HIS 79 NE2 0.0074 -0.0107 -0.0367 1211 HIS 79 HE2 0.0109 -0.0130 -0.0403 1212 HIS 79 ND1 -0.0022 -0.0084 -0.0315 1213 HIS 79 HD1 -0.0068 -0.0086 -0.0306 1214 HIS 79 CE1 0.0013 -0.0124 -0.0373 1215 HIS 79 HE1 -0.0006 -0.0167 -0.0419 1216 HIS 79 C -0.0092 0.0080 -0.0099 1217 HIS 79 O -0.0042 0.0122 -0.0060 1218 GLY 80 N -0.0174 0.0311 -0.0089 1219 GLY 80 HN -0.0194 0.0370 -0.0123 1220 GLY 80 CA -0.0203 0.0269 -0.0028 1221 GLY 80 HA1 -0.0234 0.0240 0.0025 1222 GLY 80 HA2 -0.0239 0.0313 -0.0033 1223 GLY 80 C -0.0135 0.0204 -0.0032 1224 GLY 80 O -0.0086 0.0219 -0.0090 1225 GLY 81 N -0.0115 0.0072 -0.0040 1226 GLY 81 HN -0.0152 0.0063 -0.0027 1227 GLY 81 CA -0.0063 0.0031 -0.0021 1228 GLY 81 HA1 -0.0081 -0.0007 0.0008 1229 GLY 81 HA2 -0.0040 0.0033 -0.0027 1230 GLY 81 C -0.0012 0.0034 -0.0032 1231 GLY 81 O 0.0039 0.0008 -0.0023 1232 LYS 82 N 0.0016 0.0064 -0.0043 1233 LYS 82 HN 0.0002 0.0070 -0.0049 1234 LYS 82 CA 0.0032 0.0070 -0.0047 1235 LYS 82 HA 0.0041 0.0060 -0.0038 1236 LYS 82 CB 0.0020 0.0078 -0.0054 1237 LYS 82 HB1 0.0032 0.0084 -0.0058 1238 LYS 82 HB2 0.0010 0.0089 -0.0063 1239 LYS 82 CG 0.0005 0.0066 -0.0045 1240 LYS 82 HG1 -0.0006 0.0059 -0.0040 1241 LYS 82 HG2 0.0015 0.0056 -0.0036 1242 LYS 82 CD -0.0008 0.0074 -0.0052 1243 LYS 82 HD1 0.0003 0.0079 -0.0056 1244 LYS 82 HD2 -0.0017 0.0085 -0.0061 1245 LYS 82 CE -0.0026 0.0062 -0.0043 1246 LYS 82 HE1 -0.0036 0.0069 -0.0049 1247 LYS 82 HE2 -0.0037 0.0057 -0.0040 1248 LYS 82 NZ -0.0016 0.0047 -0.0031 1249 LYS 82 HZ1 -0.0005 0.0051 -0.0033 1250 LYS 82 HZ2 -0.0008 0.0039 -0.0024 1251 LYS 82 HZ3 -0.0028 0.0040 -0.0025 1252 LYS 82 C 0.0048 0.0083 -0.0057 1253 LYS 82 O 0.0042 0.0094 -0.0066 1254 VAL 83 N 0.0044 0.0064 -0.0060 1255 VAL 83 HN 0.0044 0.0060 -0.0058 1256 VAL 83 CA 0.0049 0.0068 -0.0063 1257 VAL 83 HA 0.0047 0.0073 -0.0064 1258 VAL 83 CB 0.0055 0.0066 -0.0064 1259 VAL 83 HB 0.0053 0.0067 -0.0064 1260 VAL 83 CG1 0.0058 0.0060 -0.0062 1261 VAL 83 HG11 0.0062 0.0058 -0.0063 1262 VAL 83 HG12 0.0055 0.0056 -0.0060 1263 VAL 83 HG13 0.0061 0.0059 -0.0063 1264 VAL 83 CG2 0.0060 0.0071 -0.0068 1265 VAL 83 HG21 0.0064 0.0071 -0.0069 1266 VAL 83 HG22 0.0062 0.0071 -0.0068 1267 VAL 83 HG23 0.0057 0.0076 -0.0069 1268 VAL 83 C 0.0051 0.0068 -0.0063 1269 VAL 83 O 0.0052 0.0063 -0.0062 1270 SER 84 N 0.0025 0.0045 -0.0058 1271 SER 84 HN 0.0036 0.0046 -0.0050 1272 SER 84 CA 0.0006 0.0041 -0.0048 1273 SER 84 HA -0.0006 0.0040 -0.0059 1274 SER 84 CB 0.0006 0.0039 -0.0030 1275 SER 84 HB1 0.0017 0.0040 -0.0018 1276 SER 84 HB2 0.0012 0.0041 -0.0036 1277 SER 84 OG -0.0013 0.0036 -0.0022 1278 SER 84 HG1 -0.0012 0.0035 -0.0012 1279 SER 84 C 0.0000 0.0039 -0.0041 1280 SER 84 O 0.0013 0.0041 -0.0035 1281 ILE 85 N -0.0019 0.0021 -0.0012 1282 ILE 85 HN -0.0028 0.0018 -0.0014 1283 ILE 85 CA -0.0029 0.0017 -0.0014 1284 ILE 85 HA -0.0018 0.0021 -0.0013 1285 ILE 85 CB -0.0043 0.0017 -0.0036 1286 ILE 85 HB -0.0056 0.0012 -0.0035 1287 ILE 85 CG2 -0.0052 0.0014 -0.0039 1288 ILE 85 HG21 -0.0062 0.0014 -0.0055 1289 ILE 85 HG22 -0.0063 0.0008 -0.0026 1290 ILE 85 HG23 -0.0040 0.0019 -0.0039 1291 ILE 85 CG1 -0.0031 0.0025 -0.0055 1292 ILE 85 HG11 -0.0041 0.0024 -0.0070 1293 ILE 85 HG12 -0.0026 0.0026 -0.0053 1294 ILE 85 CD -0.0011 0.0033 -0.0059 1295 ILE 85 HD1 -0.0002 0.0038 -0.0072 1296 ILE 85 HD2 -0.0016 0.0032 -0.0064 1297 ILE 85 HD3 -0.0001 0.0033 -0.0044 1298 ILE 85 C -0.0044 0.0008 0.0005 1299 ILE 85 O -0.0058 0.0003 0.0007 1300 LYS 86 N -0.0059 0.0002 0.0030 1301 LYS 86 HN -0.0040 0.0009 0.0028 1302 LYS 86 CA -0.0085 -0.0019 0.0062 1303 LYS 86 HA -0.0109 -0.0026 0.0056 1304 LYS 86 CB -0.0062 -0.0027 0.0103 1305 LYS 86 HB1 -0.0046 -0.0020 0.0100 1306 LYS 86 HB2 -0.0083 -0.0043 0.0126 1307 LYS 86 CG -0.0030 -0.0021 0.0120 1308 LYS 86 HG1 -0.0045 -0.0029 0.0127 1309 LYS 86 HG2 -0.0008 -0.0005 0.0098 1310 LYS 86 CD -0.0006 -0.0027 0.0159 1311 LYS 86 HD1 0.0010 -0.0018 0.0150 1312 LYS 86 HD2 -0.0028 -0.0043 0.0180 1313 LYS 86 CE 0.0025 -0.0024 0.0180 1314 LYS 86 HE1 0.0009 -0.0034 0.0192 1315 LYS 86 HE2 0.0045 -0.0009 0.0158 1316 LYS 86 NZ 0.0050 -0.0027 0.0213 1317 LYS 86 HZ1 0.0035 -0.0036 0.0222 1318 LYS 86 HZ2 0.0076 -0.0013 0.0201 1319 LYS 86 HZ3 0.0058 -0.0033 0.0237 1320 LYS 86 C -0.0105 -0.0027 0.0063 1321 LYS 86 O -0.0092 -0.0016 0.0046 1322 GLY 87 N -0.0063 -0.0026 0.0070 1323 GLY 87 HN -0.0065 -0.0037 0.0086 1324 GLY 87 CA -0.0089 -0.0039 0.0065 1325 GLY 87 HA1 -0.0114 -0.0048 0.0052 1326 GLY 87 HA2 -0.0083 -0.0025 0.0049 1327 GLY 87 C -0.0090 -0.0062 0.0100 1328 GLY 87 O -0.0067 -0.0064 0.0128 1329 HIS 88 N -0.0054 -0.0040 0.0133 1330 HIS 88 HN -0.0093 -0.0014 0.0132 1331 HIS 88 CA -0.0051 -0.0142 0.0083 1332 HIS 88 HA -0.0068 -0.0145 0.0075 1333 HIS 88 CB -0.0133 -0.0186 0.0032 1334 HIS 88 HB1 -0.0115 -0.0191 0.0036 1335 HIS 88 HB2 -0.0205 -0.0138 0.0029 1336 HIS 88 CD2 -0.0157 -0.0365 -0.0066 1337 HIS 88 HD2 -0.0159 -0.0379 -0.0073 1338 HIS 88 CG -0.0149 -0.0282 -0.0022 1339 HIS 88 NE2 -0.0164 -0.0432 -0.0101 1340 HIS 88 HE2 -0.0168 -0.0501 -0.0137 1341 HIS 88 ND1 -0.0151 -0.0296 -0.0029 1342 HIS 88 HD1 -0.0146 -0.0247 -0.0003 1343 HIS 88 CE1 -0.0159 -0.0387 -0.0077 1344 HIS 88 HE1 -0.0160 -0.0423 -0.0096 1345 HIS 88 C 0.0053 -0.0200 0.0093 1346 HIS 88 O 0.0115 -0.0176 0.0127 1347 HIS 89 N -0.0207 -0.0218 0.0161 1348 HIS 89 HN -0.0318 -0.0169 0.0034 1349 HIS 89 CA -0.0101 -0.0267 0.0128 1350 HIS 89 HA -0.0152 -0.0246 -0.0046 1351 HIS 89 CB 0.0152 -0.0382 0.0123 1352 HIS 89 HB1 0.0218 -0.0413 0.0079 1353 HIS 89 HB2 0.0217 -0.0409 0.0300 1354 HIS 89 CD2 0.0359 -0.0479 -0.0039 1355 HIS 89 HD2 0.0426 -0.0507 0.0122 1356 HIS 89 CG 0.0231 -0.0422 -0.0062 1357 HIS 89 NE2 0.0396 -0.0500 -0.0268 1358 HIS 89 HE2 0.0493 -0.0545 -0.0318 1359 HIS 89 ND1 0.0186 -0.0405 -0.0300 1360 HIS 89 HD1 0.0096 -0.0365 -0.0371 1361 HIS 89 CE1 0.0288 -0.0453 -0.0418 1362 HIS 89 HE1 0.0291 -0.0458 -0.0613 1363 HIS 89 C -0.0184 -0.0226 0.0308 1364 HIS 89 O -0.0101 -0.0263 0.0321 1365 HIS 90 N -0.0132 -0.0189 0.0254 1366 HIS 90 HN -0.0134 -0.0185 0.0243 1367 HIS 90 CA -0.0096 -0.0182 0.0240 1368 HIS 90 HA -0.0076 -0.0174 0.0225 1369 HIS 90 CB -0.0067 -0.0194 0.0273 1370 HIS 90 HB1 -0.0043 -0.0188 0.0260 1371 HIS 90 HB2 -0.0086 -0.0204 0.0294 1372 HIS 90 CD2 -0.0058 -0.0213 0.0318 1373 HIS 90 HD2 -0.0090 -0.0219 0.0327 1374 HIS 90 CG -0.0043 -0.0202 0.0294 1375 HIS 90 NE2 -0.0024 -0.0217 0.0331 1376 HIS 90 HE2 -0.0026 -0.0225 0.0348 1377 HIS 90 ND1 0.0001 -0.0200 0.0294 1378 HIS 90 HD1 0.0022 -0.0195 0.0283 1379 HIS 90 CE1 0.0010 -0.0209 0.0316 1380 HIS 90 HE1 0.0043 -0.0210 0.0322 1381 HIS 90 C -0.0106 -0.0168 0.0207 1382 HIS 90 O -0.0079 -0.0162 0.0197 1383 HIS 91 N -0.0053 -0.0085 0.0135 1384 HIS 91 HN -0.0056 -0.0086 0.0136 1385 HIS 91 CA -0.0047 -0.0078 0.0139 1386 HIS 91 HA -0.0042 -0.0079 0.0136 1387 HIS 91 CB -0.0044 -0.0076 0.0139 1388 HIS 91 HB1 -0.0039 -0.0071 0.0142 1389 HIS 91 HB2 -0.0049 -0.0075 0.0142 1390 HIS 91 CD2 -0.0041 -0.0084 0.0132 1391 HIS 91 HD2 -0.0046 -0.0083 0.0134 1392 HIS 91 CG -0.0040 -0.0081 0.0134 1393 HIS 91 NE2 -0.0036 -0.0089 0.0126 1394 HIS 91 HE2 -0.0036 -0.0093 0.0123 1395 HIS 91 ND1 -0.0034 -0.0084 0.0130 1396 HIS 91 HD1 -0.0032 -0.0082 0.0130 1397 HIS 91 CE1 -0.0032 -0.0088 0.0125 1398 HIS 91 HE1 -0.0027 -0.0092 0.0121 1399 HIS 91 C -0.0050 -0.0072 0.0144 1400 HIS 91 O -0.0058 -0.0072 0.0147 1401 TYR 92 N -0.0104 -0.0028 0.0062 1402 TYR 92 HN -0.0105 -0.0028 0.0063 1403 TYR 92 CA -0.0097 -0.0020 0.0051 1404 TYR 92 HA -0.0094 -0.0021 0.0051 1405 TYR 92 CB -0.0083 -0.0020 0.0048 1406 TYR 92 HB1 -0.0079 -0.0013 0.0039 1407 TYR 92 HB2 -0.0085 -0.0020 0.0049 1408 TYR 92 CG -0.0071 -0.0027 0.0056 1409 TYR 92 CD1 -0.0070 -0.0035 0.0068 1410 TYR 92 HD1 -0.0079 -0.0037 0.0071 1411 TYR 92 CE1 -0.0059 -0.0042 0.0075 1412 TYR 92 HE1 -0.0059 -0.0048 0.0084 1413 TYR 92 CZ -0.0048 -0.0040 0.0071 1414 TYR 92 OH -0.0038 -0.0046 0.0078 1415 TYR 92 HH -0.0032 -0.0044 0.0074 1416 TYR 92 CD2 -0.0060 -0.0025 0.0052 1417 TYR 92 HD2 -0.0060 -0.0018 0.0043 1418 TYR 92 CE2 -0.0049 -0.0031 0.0059 1419 TYR 92 HE2 -0.0040 -0.0030 0.0055 1420 TYR 92 C -0.0107 -0.0012 0.0040 1421 TYR 92 O -0.0115 -0.0010 0.0039 1422 ILE 93 N -0.0065 0.0005 0.0009 1423 ILE 93 HN -0.0060 0.0016 0.0007 1424 ILE 93 CA -0.0068 -0.0004 -0.0002 1425 ILE 93 HA -0.0073 -0.0015 -0.0004 1426 ILE 93 CB -0.0064 0.0004 -0.0019 1427 ILE 93 HB -0.0059 0.0015 -0.0018 1428 ILE 93 CG2 -0.0063 0.0006 -0.0025 1429 ILE 93 HG21 -0.0060 0.0011 -0.0037 1430 ILE 93 HG22 -0.0068 -0.0005 -0.0026 1431 ILE 93 HG23 -0.0060 0.0014 -0.0016 1432 ILE 93 CG1 -0.0068 -0.0006 -0.0032 1433 ILE 93 HG11 -0.0072 -0.0016 -0.0035 1434 ILE 93 HG12 -0.0070 -0.0009 -0.0027 1435 ILE 93 CD -0.0063 0.0003 -0.0048 1436 ILE 93 HD1 -0.0059 0.0014 -0.0045 1437 ILE 93 HD2 -0.0066 -0.0004 -0.0057 1438 ILE 93 HD3 -0.0061 0.0007 -0.0054 1439 ILE 93 C -0.0070 -0.0006 0.0005 1440 ILE 93 O -0.0065 0.0005 0.0009 1441 SER 94 N -0.0047 -0.0019 0.0023 1442 SER 94 HN -0.0041 -0.0022 0.0019 1443 SER 94 CA -0.0049 -0.0023 0.0034 1444 SER 94 HA -0.0055 -0.0018 0.0038 1445 SER 94 CB -0.0046 -0.0026 0.0035 1446 SER 94 HB1 -0.0040 -0.0032 0.0032 1447 SER 94 HB2 -0.0048 -0.0021 0.0029 1448 SER 94 OG -0.0049 -0.0028 0.0045 1449 SER 94 HG1 -0.0047 -0.0033 0.0049 1450 SER 94 C -0.0045 -0.0030 0.0040 1451 SER 94 O -0.0038 -0.0036 0.0036 1452 ALA 95 N 0.0006 -0.0002 0.0033 1453 ALA 95 HN 0.0007 0.0000 0.0035 1454 ALA 95 CA 0.0007 0.0003 0.0037 1455 ALA 95 HA 0.0004 0.0001 0.0033 1456 ALA 95 CB 0.0002 0.0014 0.0040 1457 ALA 95 HB1 0.0005 0.0017 0.0043 1458 ALA 95 HB2 0.0003 0.0018 0.0043 1459 ALA 95 HB3 -0.0005 0.0015 0.0035 1460 ALA 95 C 0.0017 0.0002 0.0043 1461 ALA 95 O 0.0022 0.0003 0.0048 1462 ASP 96 N 0.0077 -0.0002 0.0039 1463 ASP 96 HN 0.0059 -0.0010 0.0023 1464 ASP 96 CA 0.0109 -0.0002 0.0062 1465 ASP 96 HA 0.0130 -0.0013 0.0074 1466 ASP 96 CB 0.0111 -0.0029 0.0055 1467 ASP 96 HB1 0.0134 -0.0029 0.0072 1468 ASP 96 HB2 0.0089 -0.0019 0.0042 1469 ASP 96 CG 0.0110 -0.0073 0.0041 1470 ASP 96 OD1 0.0106 -0.0096 0.0031 1471 ASP 96 OD2 0.0113 -0.0084 0.0040 1472 ASP 96 C 0.0111 0.0041 0.0076 1473 ASP 96 O 0.0086 0.0068 0.0067 1474 HIS 97 N 0.0122 0.0195 -0.0060 1475 HIS 97 HN 0.0122 0.0225 -0.0100 1476 HIS 97 CA 0.0105 0.0144 -0.0010 1477 HIS 97 HA 0.0065 0.0107 -0.0002 1478 HIS 97 CB 0.0082 0.0143 -0.0033 1479 HIS 97 HB1 0.0068 0.0103 0.0006 1480 HIS 97 HB2 0.0123 0.0180 -0.0040 1481 HIS 97 CD2 -0.0041 0.0102 -0.0108 1482 HIS 97 HD2 -0.0065 0.0057 -0.0073 1483 HIS 97 CG 0.0024 0.0145 -0.0097 1484 HIS 97 NE2 -0.0074 0.0127 -0.0177 1485 HIS 97 HE2 -0.0121 0.0109 -0.0203 1486 HIS 97 ND1 0.0032 0.0196 -0.0157 1487 HIS 97 HD1 0.0075 0.0234 -0.0163 1488 HIS 97 CE1 -0.0027 0.0184 -0.0203 1489 HIS 97 HE1 -0.0039 0.0215 -0.0257 1490 HIS 97 C 0.0161 0.0138 0.0058 1491 HIS 97 O 0.0150 0.0090 0.0109 1492 HIS 98 N 0.0261 0.0061 0.0067 1493 HIS 98 HN 0.0290 0.0010 0.0012 1494 HIS 98 CA 0.0280 0.0041 0.0059 1495 HIS 98 HA 0.0211 0.0103 0.0062 1496 HIS 98 CB 0.0372 0.0008 0.0167 1497 HIS 98 HB1 0.0442 -0.0056 0.0166 1498 HIS 98 HB2 0.0354 0.0064 0.0258 1499 HIS 98 CD2 0.0480 -0.0091 0.0163 1500 HIS 98 HD2 0.0556 -0.0157 0.0166 1501 HIS 98 CG 0.0394 -0.0014 0.0164 1502 HIS 98 NE2 0.0455 -0.0071 0.0159 1503 HIS 98 HE2 0.0502 -0.0113 0.0159 1504 HIS 98 ND1 0.0314 0.0055 0.0158 1505 HIS 98 HD1 0.0241 0.0119 0.0156 1506 HIS 98 CE1 0.0354 0.0018 0.0156 1507 HIS 98 HE1 0.0312 0.0055 0.0154 1508 HIS 98 C 0.0301 -0.0034 -0.0065 1509 HIS 98 O 0.0333 -0.0089 -0.0124 1510 GLY 99 N 0.0227 -0.0092 0.0071 1511 GLY 99 HN 0.0214 -0.0043 0.0082 1512 GLY 99 CA 0.0191 -0.0148 0.0019 1513 GLY 99 HA1 0.0224 -0.0201 0.0023 1514 GLY 99 HA2 0.0163 -0.0129 0.0004 1515 GLY 99 C 0.0145 -0.0159 -0.0023 1516 GLY 99 O 0.0130 -0.0115 -0.0017 1517 HIS 100 N 0.0087 -0.0235 0.0077 1518 HIS 100 HN 0.0103 -0.0301 0.0069 1519 HIS 100 CA 0.0057 -0.0215 0.0008 1520 HIS 100 HA 0.0027 -0.0160 -0.0030 1521 HIS 100 CB 0.0056 -0.0303 -0.0061 1522 HIS 100 HB1 0.0033 -0.0287 -0.0115 1523 HIS 100 HB2 0.0087 -0.0360 -0.0023 1524 HIS 100 CD2 0.0017 -0.0292 -0.0163 1525 HIS 100 HD2 -0.0008 -0.0218 -0.0174 1526 HIS 100 CG 0.0048 -0.0338 -0.0112 1527 HIS 100 NE2 0.0023 -0.0362 -0.0201 1528 HIS 100 HE2 0.0004 -0.0353 -0.0246 1529 HIS 100 ND1 0.0073 -0.0434 -0.0117 1530 HIS 100 HD1 0.0098 -0.0484 -0.0088 1531 HIS 100 CE1 0.0057 -0.0444 -0.0172 1532 HIS 100 HE1 0.0068 -0.0512 -0.0193 1533 HIS 100 C 0.0060 -0.0182 0.0042 1534 HIS 100 O 0.0091 -0.0225 0.0096 1535 VAL 101 N 0.0019 -0.0110 0.0005 1536 VAL 101 HN 0.0011 -0.0099 -0.0014 1537 VAL 101 CA 0.0017 -0.0093 0.0010 1538 VAL 101 HA 0.0024 -0.0089 0.0039 1539 VAL 101 CB 0.0004 -0.0055 -0.0006 1540 VAL 101 HB -0.0003 -0.0059 -0.0035 1541 VAL 101 CG1 0.0000 -0.0036 -0.0007 1542 VAL 101 HG11 -0.0001 -0.0052 -0.0022 1543 VAL 101 HG12 0.0007 -0.0030 0.0021 1544 VAL 101 HG13 -0.0009 -0.0009 -0.0020 1545 VAL 101 CG2 0.0005 -0.0030 0.0014 1546 VAL 101 HG21 0.0012 -0.0026 0.0043 1547 VAL 101 HG22 0.0007 -0.0042 0.0014 1548 VAL 101 HG23 -0.0004 -0.0003 0.0003 1549 VAL 101 C 0.0018 -0.0117 -0.0005 1550 VAL 101 O 0.0015 -0.0139 -0.0031 1551 SER 102 N -0.0013 -0.0100 0.0047 1552 SER 102 HN -0.0020 -0.0081 0.0072 1553 SER 102 CA -0.0010 -0.0110 0.0036 1554 SER 102 HA -0.0003 -0.0121 0.0003 1555 SER 102 CB -0.0006 -0.0145 0.0066 1556 SER 102 HB1 -0.0001 -0.0173 0.0066 1557 SER 102 HB2 -0.0002 -0.0157 0.0052 1558 SER 102 OG -0.0015 -0.0132 0.0109 1559 SER 102 HG1 -0.0016 -0.0138 0.0125 1560 SER 102 C -0.0018 -0.0070 0.0034 1561 SER 102 O -0.0023 -0.0035 0.0023 1562 THR 103 N -0.0059 -0.0034 0.0046 1563 THR 103 HN -0.0056 -0.0045 0.0051 1564 THR 103 CA -0.0068 -0.0011 0.0039 1565 THR 103 HA -0.0078 -0.0003 0.0045 1566 THR 103 CB -0.0055 -0.0001 0.0016 1567 THR 103 HB -0.0048 -0.0004 0.0011 1568 THR 103 OG1 -0.0064 0.0023 0.0009 1569 THR 103 HG1 -0.0056 0.0028 -0.0005 1570 THR 103 CG2 -0.0040 -0.0011 0.0006 1571 THR 103 HG21 -0.0030 -0.0004 -0.0010 1572 THR 103 HG22 -0.0032 -0.0029 0.0011 1573 THR 103 HG23 -0.0046 -0.0007 0.0010 1574 THR 103 C -0.0076 -0.0008 0.0047 1575 THR 103 O -0.0069 -0.0023 0.0050 1576 LYS 104 N -0.0075 0.0004 0.0053 1577 LYS 104 HN -0.0075 0.0001 0.0054 1578 LYS 104 CA -0.0081 0.0010 0.0049 1579 LYS 104 HA -0.0078 0.0016 0.0049 1580 LYS 104 CB -0.0089 0.0006 0.0048 1581 LYS 104 HB1 -0.0086 0.0003 0.0049 1582 LYS 104 HB2 -0.0093 0.0011 0.0045 1583 LYS 104 CG -0.0095 -0.0001 0.0047 1584 LYS 104 HG1 -0.0099 0.0002 0.0045 1585 LYS 104 HG2 -0.0091 -0.0006 0.0050 1586 LYS 104 CD -0.0101 -0.0007 0.0047 1587 LYS 104 HD1 -0.0097 -0.0010 0.0049 1588 LYS 104 HD2 -0.0104 -0.0002 0.0044 1589 LYS 104 CE -0.0108 -0.0013 0.0046 1590 LYS 104 HE1 -0.0112 -0.0010 0.0044 1591 LYS 104 HE2 -0.0105 -0.0019 0.0049 1592 LYS 104 NZ -0.0114 -0.0018 0.0045 1593 LYS 104 HZ1 -0.0120 -0.0019 0.0043 1594 LYS 104 HZ2 -0.0116 -0.0014 0.0044 1595 LYS 104 HZ3 -0.0113 -0.0024 0.0047 1596 LYS 104 C -0.0085 0.0015 0.0047 1597 LYS 104 O -0.0084 0.0012 0.0048 1598 GLU 105 N -0.0018 0.0037 0.0062 1599 GLU 105 HN 0.0043 0.0081 0.0039 1600 GLU 105 CA -0.0093 0.0023 -0.0036 1601 GLU 105 HA -0.0128 -0.0006 -0.0012 1602 GLU 105 CB -0.0042 0.0091 -0.0148 1603 GLU 105 HB1 -0.0005 0.0122 -0.0175 1604 GLU 105 HB2 0.0024 0.0123 -0.0123 1605 GLU 105 CG -0.0120 0.0079 -0.0253 1606 GLU 105 HG1 -0.0158 0.0046 -0.0226 1607 GLU 105 HG2 -0.0182 0.0052 -0.0287 1608 GLU 105 CD -0.0063 0.0147 -0.0356 1609 GLU 105 OE1 -0.0032 0.0168 -0.0363 1610 GLU 105 OE2 -0.0050 0.0179 -0.0429 1611 GLU 105 C -0.0182 -0.0022 -0.0063 1612 GLU 105 O -0.0161 -0.0008 -0.0066 1613 HIS 106 N -0.0146 0.0046 -0.0024 1614 HIS 106 HN -0.0124 0.0052 -0.0011 1615 HIS 106 CA -0.0240 -0.0009 -0.0057 1616 HIS 106 HA -0.0267 -0.0011 -0.0078 1617 HIS 106 CB -0.0291 0.0027 -0.0133 1618 HIS 106 HB1 -0.0363 -0.0017 -0.0155 1619 HIS 106 HB2 -0.0269 0.0032 -0.0118 1620 HIS 106 CD2 -0.0244 0.0193 -0.0239 1621 HIS 106 HD2 -0.0213 0.0211 -0.0228 1622 HIS 106 CG -0.0282 0.0114 -0.0202 1623 HIS 106 NE2 -0.0248 0.0252 -0.0295 1624 HIS 106 HE2 -0.0212 0.0317 -0.0321 1625 HIS 106 ND1 -0.0313 0.0121 -0.0234 1626 HIS 106 HD1 -0.0344 0.0074 -0.0219 1627 HIS 106 CE1 -0.0290 0.0206 -0.0290 1628 HIS 106 HE1 -0.0301 0.0235 -0.0325 1629 HIS 106 C -0.0264 -0.0103 0.0006 1630 HIS 106 O -0.0222 -0.0125 0.0062 1631 HIS 107 N -0.0157 -0.0009 0.0003 1632 HIS 107 HN -0.0146 -0.0013 0.0020 1633 HIS 107 CA -0.0142 -0.0003 -0.0021 1634 HIS 107 HA -0.0150 -0.0001 -0.0032 1635 HIS 107 CB -0.0111 -0.0003 -0.0015 1636 HIS 107 HB1 -0.0103 -0.0006 -0.0001 1637 HIS 107 HB2 -0.0109 -0.0005 -0.0006 1638 HIS 107 CD2 -0.0077 0.0006 -0.0048 1639 HIS 107 HD2 -0.0074 0.0005 -0.0040 1640 HIS 107 CG -0.0093 0.0003 -0.0040 1641 HIS 107 NE2 -0.0067 0.0012 -0.0072 1642 HIS 107 HE2 -0.0056 0.0016 -0.0085 1643 HIS 107 ND1 -0.0093 0.0007 -0.0057 1644 HIS 107 HD1 -0.0102 0.0007 -0.0056 1645 HIS 107 CE1 -0.0076 0.0013 -0.0076 1646 HIS 107 HE1 -0.0072 0.0017 -0.0094 1647 HIS 107 C -0.0144 0.0001 -0.0040 1648 HIS 107 O -0.0144 -0.0001 -0.0030 1649 ASP 108 N -0.0118 0.0021 0.0010 1650 ASP 108 HN -0.0113 0.0021 0.0005 1651 ASP 108 CA -0.0124 0.0017 0.0005 1652 ASP 108 HA -0.0124 0.0019 0.0010 1653 ASP 108 CB -0.0135 0.0012 0.0004 1654 ASP 108 HB1 -0.0135 0.0010 -0.0002 1655 ASP 108 HB2 -0.0138 0.0014 0.0012 1656 ASP 108 CG -0.0144 0.0008 0.0002 1657 ASP 108 OD1 -0.0141 0.0008 -0.0001 1658 ASP 108 OD2 -0.0154 0.0004 0.0003 1659 ASP 108 C -0.0118 0.0014 -0.0006 1660 ASP 108 O -0.0110 0.0015 -0.0011 1661 HIS 109 N -0.0064 0.0066 -0.0022 1662 HIS 109 HN -0.0078 0.0065 -0.0016 1663 HIS 109 CA -0.0060 0.0045 -0.0024 1664 HIS 109 HA -0.0050 0.0052 -0.0028 1665 HIS 109 CB -0.0082 0.0034 -0.0014 1666 HIS 109 HB1 -0.0079 0.0015 -0.0016 1667 HIS 109 HB2 -0.0095 0.0032 -0.0009 1668 HIS 109 CD2 -0.0111 0.0063 -0.0002 1669 HIS 109 HD2 -0.0125 0.0065 0.0004 1670 HIS 109 CG -0.0091 0.0050 -0.0011 1671 HIS 109 NE2 -0.0111 0.0076 -0.0002 1672 HIS 109 HE2 -0.0123 0.0087 0.0003 1673 HIS 109 ND1 -0.0078 0.0055 -0.0016 1674 HIS 109 HD1 -0.0062 0.0048 -0.0023 1675 HIS 109 CE1 -0.0091 0.0070 -0.0011 1676 HIS 109 HE1 -0.0085 0.0078 -0.0013 1677 HIS 109 C -0.0044 0.0025 -0.0030 1678 HIS 109 O -0.0033 0.0012 -0.0035 1679 ASP 110 N -0.0040 0.0013 -0.0001 1680 ASP 110 HN -0.0039 0.0013 -0.0003 1681 ASP 110 CA -0.0041 0.0016 0.0002 1682 ASP 110 HA -0.0041 0.0017 0.0002 1683 ASP 110 CB -0.0040 0.0018 0.0001 1684 ASP 110 HB1 -0.0041 0.0020 0.0004 1685 ASP 110 HB2 -0.0040 0.0017 0.0001 1686 ASP 110 CG -0.0039 0.0021 -0.0002 1687 ASP 110 OD1 -0.0039 0.0021 -0.0004 1688 ASP 110 OD2 -0.0039 0.0023 -0.0002 1689 ASP 110 C -0.0042 0.0014 0.0005 1690 ASP 110 O -0.0043 0.0016 0.0008 1691 THR 111 N -0.0070 0.0008 -0.0007 1692 THR 111 HN -0.0066 0.0009 -0.0000 1693 THR 111 CA -0.0067 0.0009 -0.0007 1694 THR 111 HA -0.0073 0.0008 -0.0014 1695 THR 111 CB -0.0069 0.0006 0.0006 1696 THR 111 HB -0.0069 0.0007 0.0005 1697 THR 111 OG1 -0.0060 0.0009 0.0016 1698 THR 111 HG1 -0.0052 0.0012 0.0013 1699 THR 111 CG2 -0.0081 0.0001 0.0012 1700 THR 111 HG21 -0.0081 0.0001 0.0013 1701 THR 111 HG22 -0.0082 -0.0001 0.0021 1702 THR 111 HG23 -0.0088 -0.0001 0.0005 1703 THR 111 C -0.0055 0.0014 -0.0011 1704 THR 111 O -0.0050 0.0016 -0.0009 1705 THR 112 N -0.0015 0.0039 -0.0039 1706 THR 112 HN -0.0021 0.0036 -0.0040 1707 THR 112 CA -0.0008 0.0041 -0.0041 1708 THR 112 HA -0.0001 0.0044 -0.0041 1709 THR 112 CB -0.0008 0.0044 -0.0036 1710 THR 112 HB -0.0015 0.0041 -0.0037 1711 THR 112 OG1 -0.0010 0.0050 -0.0027 1712 THR 112 HG1 -0.0016 0.0048 -0.0026 1713 THR 112 CG2 0.0000 0.0047 -0.0038 1714 THR 112 HG21 0.0006 0.0050 -0.0037 1715 THR 112 HG22 -0.0000 0.0049 -0.0034 1716 THR 112 HG23 0.0001 0.0043 -0.0044 1717 THR 112 C -0.0007 0.0036 -0.0050 1718 THR 112 O -0.0013 0.0031 -0.0053 1719 PHE 113 N 0.0039 0.0026 0.0002 1720 PHE 113 HN 0.0042 0.0025 0.0006 1721 PHE 113 CA 0.0038 0.0030 -0.0008 1722 PHE 113 HA 0.0036 0.0031 -0.0012 1723 PHE 113 CB 0.0030 0.0030 -0.0010 1724 PHE 113 HB1 0.0028 0.0032 -0.0018 1725 PHE 113 HB2 0.0033 0.0029 -0.0008 1726 PHE 113 CG 0.0021 0.0027 -0.0005 1727 PHE 113 CD1 0.0017 0.0024 0.0000 1728 PHE 113 HD1 0.0020 0.0024 0.0001 1729 PHE 113 CE1 0.0008 0.0021 0.0005 1730 PHE 113 HE1 0.0005 0.0019 0.0010 1731 PHE 113 CZ 0.0003 0.0021 0.0004 1732 PHE 113 HZ -0.0004 0.0019 0.0008 1733 PHE 113 CD2 0.0016 0.0026 -0.0006 1734 PHE 113 HD2 0.0019 0.0028 -0.0011 1735 PHE 113 CE2 0.0007 0.0024 -0.0002 1736 PHE 113 HE2 0.0004 0.0023 -0.0003 1737 PHE 113 C 0.0048 0.0032 -0.0012 1738 PHE 113 O 0.0055 0.0031 -0.0006 1739 GLU 114 N 0.0084 0.0016 0.0014 1740 GLU 114 HN 0.0087 0.0019 0.0016 1741 GLU 114 CA 0.0080 -0.0008 0.0016 1742 GLU 114 HA 0.0081 -0.0009 0.0018 1743 GLU 114 CB 0.0063 -0.0020 0.0001 1744 GLU 114 HB1 0.0061 -0.0038 0.0004 1745 GLU 114 HB2 0.0063 -0.0020 0.0000 1746 GLU 114 CG 0.0050 -0.0009 -0.0017 1747 GLU 114 HG1 0.0050 0.0008 -0.0021 1748 GLU 114 HG2 0.0051 -0.0007 -0.0016 1749 GLU 114 CD 0.0033 -0.0023 -0.0031 1750 GLU 114 OE1 0.0021 -0.0018 -0.0046 1751 GLU 114 OE2 0.0032 -0.0039 -0.0028 1752 GLU 114 C 0.0093 -0.0020 0.0033 1753 GLU 114 O 0.0101 -0.0012 0.0040 1754 GLU 115 N 0.0106 -0.0046 0.0075 1755 GLU 115 HN 0.0105 -0.0055 0.0071 1756 GLU 115 CA 0.0108 -0.0051 0.0087 1757 GLU 115 HA 0.0110 -0.0045 0.0098 1758 GLU 115 CB 0.0107 -0.0069 0.0091 1759 GLU 115 HB1 0.0108 -0.0074 0.0099 1760 GLU 115 HB2 0.0105 -0.0076 0.0080 1761 GLU 115 CG 0.0108 -0.0072 0.0100 1762 GLU 115 HG1 0.0107 -0.0068 0.0093 1763 GLU 115 HG2 0.0111 -0.0066 0.0112 1764 GLU 115 CD 0.0107 -0.0090 0.0103 1765 GLU 115 OE1 0.0108 -0.0098 0.0110 1766 GLU 115 OE2 0.0106 -0.0096 0.0100 1767 GLU 115 C 0.0107 -0.0049 0.0083 1768 GLU 115 O 0.0105 -0.0048 0.0070 1769 ILE 116 N 0.0097 -0.0044 0.0127 1770 ILE 116 HN 0.0080 -0.0050 0.0147 1771 ILE 116 CA 0.0098 -0.0010 0.0119 1772 ILE 116 HA 0.0117 -0.0003 0.0097 1773 ILE 116 CB 0.0080 0.0022 0.0133 1774 ILE 116 HB 0.0061 0.0014 0.0156 1775 ILE 116 CG2 0.0088 0.0032 0.0121 1776 ILE 116 HG21 0.0091 0.0008 0.0123 1777 ILE 116 HG22 0.0074 0.0053 0.0133 1778 ILE 116 HG23 0.0106 0.0043 0.0099 1779 ILE 116 CG1 0.0077 0.0056 0.0129 1780 ILE 116 HG11 0.0096 0.0066 0.0106 1781 ILE 116 HG12 0.0072 0.0049 0.0137 1782 ILE 116 CD 0.0058 0.0088 0.0144 1783 ILE 116 HD1 0.0039 0.0080 0.0167 1784 ILE 116 HD2 0.0056 0.0112 0.0141 1785 ILE 116 HD3 0.0063 0.0099 0.0136 1786 ILE 116 C 0.0093 -0.0020 0.0127 1787 ILE 116 O 0.0075 -0.0036 0.0150 1788 ILE 117 N 0.0089 -0.0076 0.0181 1789 ILE 117 HN 0.0099 -0.0069 0.0175 1790 ILE 117 CA 0.0063 -0.0095 0.0200 1791 ILE 117 HA 0.0049 -0.0104 0.0195 1792 ILE 117 CB 0.0046 -0.0106 0.0187 1793 ILE 117 HB 0.0061 -0.0096 0.0188 1794 ILE 117 CG2 0.0021 -0.0124 0.0212 1795 ILE 117 HG21 0.0009 -0.0132 0.0201 1796 ILE 117 HG22 0.0029 -0.0119 0.0238 1797 ILE 117 HG23 0.0006 -0.0134 0.0214 1798 ILE 117 CG1 0.0035 -0.0113 0.0150 1799 ILE 117 HG11 0.0030 -0.0116 0.0145 1800 ILE 117 HG12 0.0014 -0.0127 0.0147 1801 ILE 117 CD 0.0054 -0.0098 0.0121 1802 ILE 117 HD1 0.0075 -0.0084 0.0121 1803 ILE 117 HD2 0.0059 -0.0096 0.0125 1804 ILE 117 HD3 0.0044 -0.0105 0.0096 1805 ILE 117 C 0.0069 -0.0092 0.0239 1806 ILE 117 O 0.0088 -0.0078 0.0251 1807 ILE 118 N 0.0076 -0.0096 0.0092 1808 ILE 118 HN 0.0095 -0.0106 0.0109 1809 ILE 118 CA 0.0113 -0.0223 0.0029 1810 ILE 118 HA 0.0070 -0.0088 0.0092 1811 ILE 118 CB 0.0122 -0.0095 0.0156 1812 ILE 118 HB 0.0147 -0.0118 0.0168 1813 ILE 118 CG2 0.0139 -0.0105 0.0169 1814 ILE 118 HG21 0.0160 -0.0094 0.0207 1815 ILE 118 HG22 0.0154 -0.0143 0.0155 1816 ILE 118 HG23 0.0115 -0.0085 0.0156 1817 ILE 118 CG1 0.0107 -0.0042 0.0183 1818 ILE 118 HG11 0.0131 -0.0035 0.0220 1819 ILE 118 HG12 0.0101 -0.0038 0.0178 1820 ILE 118 CD 0.0072 -0.0004 0.0169 1821 ILE 118 HD1 0.0062 0.0032 0.0189 1822 ILE 118 HD2 0.0077 -0.0005 0.0176 1823 ILE 118 HD3 0.0047 -0.0009 0.0132 1824 ILE 118 C 0.0110 -0.0160 0.0081 1825 ILE 118 OT1 0.0132 -0.0190 0.0084 1826 ILE 118 OT2 0.0097 -0.0157 0.0066